Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3490743

Cl.c1cc(-n2cnnn2)ccc1OCc1csc(C2CCCNC2)n1

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERBB2 known ✓ P04626 1/20 0.40
KDR known ✓ P35968 1/20 0.40
GPR119 Q8TDV5 9/20 0.59
KMT2A Q03164 2/20 0.41
POLB P06746 2/20 0.41
EPHA2 P29317 1/20 0.40
EPHB4 P54760 1/20 0.40
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
ALOX15 P16050 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
BLM P54132 1/20 0.38
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
CYP3A4 P08684 1/20 0.33
USP2 O75604 1/20 0.33
MAPK1 P28482 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3489365 0.99 GPR119 (0.60) GPR119KMT2APOLBERBB2EPHA2
Hydrochloric Acid SCHEMBL1118435 0.94 GPR119 (0.61) GPR119KMT2APOLBERBB2EPHA2
SCHEMBL1118497 0.93 GPR119 (0.62) GPR119KMT2APOLBERBB2EPHA2
Hydrochloric Acid SCHEMBL1661798 0.89 GPR119 (0.65) GPR119KMT2APOLBEPHA2KDR
SCHEMBL1118437 0.88 GPR119 (0.66) GPR119KMT2APOLBEPHA2KDR
SCHEMBL3489114 0.83 GPR119 (0.58) GPR119KMT2APOLBALDH1A1MEN1
SCHEMBL11885628 0.83 GPR119 (0.58) GPR119KMT2APOLBALDH1A1MEN1
SCHEMBL18751349 0.83 GPR119 (0.58) GPR119KMT2APOLBALDH1A1MEN1
SCHEMBL3488577 0.79 GPR119 (0.70) GPR119KMT2APOLBALDH1A1MEN1
SCHEMBL3488656 0.79 GPR119 (0.67) GPR119KMT2APOLBALDH1A1MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10292983-B2 Oxymethylene aryl compounds for treating inflammatory gastrointestinal diseases or gastrointestinal conditions CYMABAY THERAPEUTICS, INC. (US) 2019-05-21 US disclosed
US-9925189-B2 Heterocyclic receptor agonists for the treatment of diabetes and metabolic disorders CYMABAY THERAPEUTICS, INC. (US) 2018-03-27 US disclosed
US-20180036307-A1 OXYMETHYLENE ARYL COMPOUNDS FOR TREATING INFLAMMATORY GASTROINTESTINAL DISEASES OR GASTROINTESTINAL CONDITIONS CYMABAY THERAPEUTICS INC (US) 2018-02-08 US disclosed
US-20180021335-A1 HETEROCYCLIC RECEPTOR AGONISTS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS CYMABAY THERAPEUTICS INC (US) 2018-01-25 US disclosed
US-9737537-B2 Heterocyclic receptor agonists for the treatment of diabetes and metabolic disorders CYMABAY THERAPEUTICS, INC. (US) 2017-08-22 US disclosed
US-20170105993-A1 HETEROCYCLIC RECEPTOR AGONISTS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS CYMABAY THERAPEUTICS INC (US) 2017-04-20 US disclosed
US-20150239881-A1 HETEROCYCLIC RECEPTOR AGONISTS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS CYMABAY THERAPEUTICS, INC. (US) 2015-08-27 US disclosed
EP-2280704-B1 OXYMETHYLENE ARYL COMPOUNDS AND USES THEREOF CYMABAY THERAPEUTICS INC (US) 2015-05-13 EP disclosed
US-8975258-B2 Heterocyclic receptor agonists for the treatment of diabetes and metabolic disorders CYMABAY THERAPEUTICS, INC. (US) 2015-03-10 US disclosed
US-8921350-B2 Heterocyclic receptor agonists for the treatment of diabetes and metabolic disorders CYMABAY THERAPEUTICS, INC. (US) 2014-12-30 US disclosed
US-20140024830-A1 HETEROCYCLIC RECEPTOR AGONISTS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS METABOLEX, INC. 2014-01-23 US disclosed
US-20130281691-A1 HETEROCYCLIC RECEPTOR AGONISTS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS CYMABAY THERAPEUTICS, INC. 2013-10-24 US disclosed
EP-2111107-B1 HETEROCYCLIC RECEPTOR AGONISTS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS METABOLEX INC (US) 2013-04-24 EP disclosed
US-8288384-B2 Heterocyclic receptor agonists for the treatment of diabetes and metabolic disorders METABOLEX, INC. (US) 2012-10-16 US disclosed
US-8227495-B2 2,4-disubsituted thiazoles and pharmaceutical compositions thereof METABOLEX INC. (US) 2012-07-24 US disclosed
US-20100130511-A1 HETEROCYCLIC RECEPTOR AGONISTS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS METABOLEX, INC. 2010-05-27 US disclosed
US-20100087465-A1 HETEROCYCLIC RECEPTOR AGONISTS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS METABOLEX, INC. 2010-04-08 US disclosed
US-7638541-B2 treatment of Type II diabetes and other diseases associated with poor glycemic control METABOLEX INC. (US) 2009-12-29 US disclosed
US-20090270404-A1 OXYMETHYLENE ARYL COMPOUNDS AND USES THEREOF METABOLEX, INC. 2009-10-29 US disclosed
US-20090054475-A1 treatment of Type II diabetes and other diseases associated with poor glycemic control METABOLEX, INC. (US) 2009-02-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100087465-A1 HETEROCYCLIC RECEPTOR AGONISTS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS GPR119, INSR, GLP1R ERBB2 537/4885KDR 650/4885GPR119 1/4885
US-20130281691-A1 HETEROCYCLIC RECEPTOR AGONISTS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS GPR119, INSR, GLP1R ERBB2 537/4885KDR 650/4885GPR119 1/4885
US-10292983-B2 Oxymethylene aryl compounds for treating inflammatory gastrointestinal diseases or gastrointestinal conditions GPR119, GIPR, GLP1R ERBB2 764/4885KDR 1251/4885GPR119 1/4885
US-20090270404-A1 OXYMETHYLENE ARYL COMPOUNDS AND USES THEREOF GPR119, GLP1R, DPP4 ERBB2 774/4885KDR 697/4885GPR119 1/4885
US-20140024830-A1 HETEROCYCLIC RECEPTOR AGONISTS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS GPR119, INSR, GLP1R ERBB2 537/4885KDR 650/4885GPR119 1/4885
US-20150239881-A1 HETEROCYCLIC RECEPTOR AGONISTS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS GPR119, INSR, GLP1R ERBB2 537/4885KDR 650/4885GPR119 1/4885
US-20180036307-A1 OXYMETHYLENE ARYL COMPOUNDS FOR TREATING INFLAMMATORY GASTROINTESTINAL DISEASES OR GASTROINTESTINAL CONDITIONS GPR119, GIPR, GLP1R ERBB2 764/4885KDR 1251/4885GPR119 1/4885
US-20180021335-A1 HETEROCYCLIC RECEPTOR AGONISTS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS GPR119, INSR, GLP1R ERBB2 537/4885KDR 650/4885GPR119 1/4885
US-20090054475-A1 treatment of Type II diabetes and other diseases associated with poor glycemic control SLC5A2, IAPP, GPR119 ERBB2 2362/4885KDR 3850/4885GPR119 3/4885
US-20170105993-A1 HETEROCYCLIC RECEPTOR AGONISTS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS GPR119, INSR, GLP1R ERBB2 537/4885KDR 650/4885GPR119 1/4885
US-20100130511-A1 HETEROCYCLIC RECEPTOR AGONISTS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS GPR119, INSR, GLP1R ERBB2 537/4885KDR 650/4885GPR119 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.