Hydrochloric Acid

Hydrochloric Acid

SCHEMBL680

COC(=O)c1ccccc1-c1ccc(CN)cc1.Cl

nearest known ligand 0.63

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 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 known ✓ Q01959 5/20 0.63
SLC6A4 known ✓ P31645 3/20 0.63
SLC6A2 known ✓ P23975 1/20 0.56
ROCK2 known ✓ O75116 1/20 0.47
CSF1R known ✓ P07333 1/20 0.47
KDR known ✓ P35968 1/20 0.47
FLT3 known ✓ P36888 1/20 0.47
ROCK1 known ✓ Q13464 1/20 0.47
AGTR1 known ✓ P30556 1/20 0.46
LOXL2 Q9Y4K0 2/20 0.54
LTB4R2 Q9NPC1 1/20 0.52
BRS3 P32247 1/20 0.50
BDKRB1 P46663 6/20 0.48
ALDH1A1 P00352 1/20 0.47
CFTR P13569 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
CDK5 Q00535 1/20 0.47
SLK Q9H2G2 1/20 0.47

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
SCHEMBL535 0.98 SLC6A3 (0.65) SLC6A3SLC6A4SLC6A2LOXL2LTB4R2
SCHEMBL3112718 0.86 SLC6A3 (0.69) SLC6A3SLC6A4SLC6A2LTB4R2BRS3
SCHEMBL14326964 0.86 SLC6A3 (0.69) SLC6A3SLC6A4SLC6A2LTB4R2BRS3
SCHEMBL29979869 0.86 SLC6A3 (0.69) SLC6A3SLC6A4SLC6A2LTB4R2BRS3
SCHEMBL5475393 0.85 LOXL2 (0.57) SLC6A3SLC6A4SLC6A2LOXL2ALDH1A1
SCHEMBL2642187 0.84 SLC6A3 (0.67) SLC6A3SLC6A4SLC6A2LTB4R2BRS3
SCHEMBL8220001 0.84 TSHR (0.57) SLC6A3SLC6A4LTB4R2ALDH1A1HSD17B10
SCHEMBL27843639 0.84 SLC6A3 (0.74) SLC6A3SLC6A4SLC6A2ALDH1A1CFTR
Bromide SCHEMBL8670915 0.83 SLC6A3 (0.65) SLC6A3SLC6A4SLC6A2LTB4R2BRS3
SCHEMBL8539999 0.83 SLC6A3 (0.69) SLC6A3SLC6A4SLC6A2LTB4R2BRS3

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673889-B2 BLT2-mediated disease, BLT2 binding agent and the compound ONO PHARMACEUTICAL CO., LTD. (JP) 2014-03-18 US disclosed
EP-2172222-A2 Novel BLT2-mediated disease, BLT2-binding agent and compound ONO PHARMACEUTICAL CO., LTD. (JP) 2010-04-07 EP disclosed
US-20080132574-A1 Novel Blt2-Mediated Disease, Blt2 Binding Agent And the Compound ONO PHARMACEUTICAL CO., LTD. (JP) 2008-06-05 US disclosed
EP-1745800-A1 NOVEL BLT2-MEDIATED DISEASE, AND BLT2 BINDING AGENT AND COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-24 EP disclosed
US-7091380-B2 N-biphenylmethyl aminocycloalkanecarboxamide derivatives MERCK & CO., INC. (US) 2006-08-15 US disclosed
EP-1476419-B1 N-BIPHENYLMETHYL AMINOCYCLOALKANECARBOXAMIDE DERIVATIVES MERCK & CO INC (US) 2006-02-01 EP disclosed
US-20050085667-A1 N-biphenylmethyl aminocycloalkanecarboxamide derivatives MERCK SHARP & DOHME LLC 2005-04-21 US disclosed
EP-0733366-B1 Pharmaceutical compositions comprising angiotensin II receptor blocking imidazoles and diuretics DU PONT (US) 1998-04-01 EP disclosed
EP-0324377-B1 Angiotensin II receptor blocking imidazoles and combinations thereof with diuretics and NSaids DU PONT (US) 1997-04-16 EP disclosed
EP-0733366-A2 Pharmaceutical compositions comprising angiotensin II receptor blocking imidazoles and diuretics E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-09-25 EP disclosed
US-5138069-A Treating hypertension and congestive heart failure E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-08-11 US disclosed
US-5128355-A Hypotensive E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-07-07 US disclosed
US-5093346-A Hypotensive agents, congestive heart failure E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-03-03 US disclosed
US-5081127-A Hypotensive agents and treatment of congestive heart failure E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-01-14 US disclosed
US-5043349-A Hypotensive agents, treatment of congestive heart failure E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-08-27 US disclosed
US-5015651-A Triazole derivatives for treatment of congestive heart failure E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-05-14 US disclosed
EP-0324377-A2 Angiotensin II receptor blocking imidazoles and combinations thereof with diuretics and NSaids E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-07-19 EP disclosed
WO-1989006233-A1 ANGIOTENSIN II RECEPTOR BLOCKING IMIDAZOLES AND COMBINATIONS THEREOF WITH DIURETICS AND NSAIDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-07-13 WO disclosed
EP-0323841-A2 Substituted pyrrole, pyrazole and triazole angiotensin II antagonists E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-07-12 EP disclosed
EP-0253310-A2 Angiotensin II receptor blocking imidazoles E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-01-20 EP 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 (2 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-20080132574-A1 Novel Blt2-Mediated Disease, Blt2 Binding Agent And the Compound MALT1, SLC10A2, LCP2 SLC6A3 134/4885SLC6A4 305/4885SLC6A2 136/4885
US-20050085667-A1 N-biphenylmethyl aminocycloalkanecarboxamide derivatives BDKRB1, BDKRB2, LTB4R2 SLC6A3 3890/4885SLC6A4 2252/4885SLC6A2 2757/4885

“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.