Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4790441

Cl.Cl.c1cc2c(cn1)CNCC2

nearest known ligand 0.74

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 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 known ✓ Q99720 1/20 0.52
MAOB known ✓ P27338 1/20 0.52
ADRA2A known ✓ P08913 1/20 0.44
ADRA2B known ✓ P18089 1/20 0.44
ADRA2C known ✓ P18825 1/20 0.44
DRD2 known ✓ P14416 1/20 0.42
DRD3 known ✓ P35462 1/20 0.42
HTR2C known ✓ P28335 1/20 0.41
CHRNB2 P17787 1/20 0.74
CHRNA4 P43681 1/20 0.74
PNMT P11086 5/20 0.52
CD44 P16070 1/20 0.52
PKN2 Q16513 1/20 0.44
ASIC3 Q9UHC3 2/20 0.41

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
Hydrochloric Acid SCHEMBL15238605 1.00 CHRNB2 (0.74) CHRNB2CHRNA4PNMTSIGMAR1CD44
SCHEMBL587887 0.98 CHRNB2 (0.77) CHRNB2CHRNA4PNMTSIGMAR1CD44
SCHEMBL29850369 0.98 CHRNB2 (0.77) CHRNB2CHRNA4PNMTSIGMAR1CD44
Hydrochloric Acid SCHEMBL29759853 0.92 CHRNB2 (0.74) CHRNB2CHRNA4PNMTSIGMAR1CD44
Hydrochloric Acid SCHEMBL785959 0.92 CHRNB2 (0.74) CHRNB2CHRNA4PNMTSIGMAR1CD44
SCHEMBL2565015 0.90 CHRNB2 (0.77) CHRNB2CHRNA4PNMTSIGMAR1CD44
SCHEMBL30183351 0.90 CHRNB2 (0.77) CHRNB2CHRNA4PNMTSIGMAR1CD44
SCHEMBL19194504 0.86 SIGMAR1 (0.61) CHRNB2CHRNA4PNMTSIGMAR1CD44
SCHEMBL19200207 0.85 CHRNB2 (1.00) CHRNB2CHRNA4PNMTSIGMAR1CD44
Hydrochloric Acid SCHEMBL9317481 0.83 CHRNB2 (0.54) CHRNB2CHRNA4PNMTSIGMAR1CD44

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312542-A1 HYDROXYPYRROLIDINE DERIVATIVE AND MEDICINAL APPLICATION THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-10-05 US disclosed
EP-4129402-A1 HYDROXYPYRROLIDINE DERIVATIVE AND MEDICINAL APPLICATION THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2023-02-08 EP disclosed
CN-115298173-A Hydroxypyrrolidine derivatives and medical use thereof 田边三菱制药株式会社 2022-11-04 CN disclosed
US-20180036317-A1 METHOD OF TREATING CONDITIONS WITH KINASE INHIBITORS ALLERGAN INC (US) 2018-02-08 US disclosed
US-9820989-B2 Method of treating conditions with kinase inhibitors ALLERGAN, INC. (US) 2017-11-21 US disclosed
US-20170143728-A1 METHOD OF TREATING CONDITIONS WITH KINASE INHIBITORS ALLERGAN, INC. 2017-05-25 US disclosed
EP-2825537-B1 DIHYDROPYRIDOPYRIMIDINE AND DIHYDRONAPHTHYRIDINE DERIVATIVES AS TYROSINE KINASE INHIBITORS OF ESPECIALLY VEGF AND PDGF ALLERGAN INC (US) 2017-01-04 EP disclosed
US-9388176-B2 Method of treating conditiions with kinase inhibitors ALLERGAN, INC. (US) 2016-07-12 US disclosed
EP-2825537-A1 DIHYDROPYRIDOPYRIMIDINE AND DIHYDRONAPHTHYRIDINE DERIVATIVES AS TYROSINE KINASE INHIBITORS OF ESPECIALLY VEGF AND PDGF ALLERGAN, INC. (US) 2015-01-21 EP disclosed
EP-2825166-A1 METHOD OF TREATING OPHTHALMIC CONDITIONS WITH KINASE INHIBITORS ALLERGAN, INC. (US) 2015-01-21 EP disclosed
US-8889870-B2 Kinase inhibitors ALLERGAN, INC. (US) 2014-11-18 US disclosed
WO-2013138393-A1 METHOD OF TREATING OPHTHALMIC CONDITIONS WITH KINASE INHIBITORS ALLERGAN, INC. (US) 2013-09-19 WO disclosed
WO-2013138396-A1 DIHYDROPYRIDOPYRIMIDINE AND DIHYDRONAPHTHYRIDINE DERIVATIVES AS TYROSINE KINASE INHIBITORS OF ESPECIALLY VEGF AND PDGF ALLERGAN, INC. (US) 2013-09-19 WO disclosed
US-20130237538-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2013-09-12 US disclosed
US-20130237537-A1 METHOD OF TREATING CONDITIIONS WITH KINASE INHIBITORS ALLERGAN, INC. (US) 2013-09-12 US disclosed
WO-2009001128-A1 1,2-CYCL0HEXANE DICARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 WO 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 (5 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-20180036317-A1 METHOD OF TREATING CONDITIONS WITH KINASE INHIBITORS MAP3K1, MAPK1, MAP3K2 SIGMAR1 2849/4885MAOB 888/4885ADRA2A 2021/4885
US-20230312542-A1 HYDROXYPYRROLIDINE DERIVATIVE AND MEDICINAL APPLICATION THEREOF VHL, MDM2, NEDD4 SIGMAR1 2478/4885MAOB 4508/4885ADRA2A 3494/4885
US-20170143728-A1 METHOD OF TREATING CONDITIONS WITH KINASE INHIBITORS MAP3K1, MAPK1, MAP3K2 SIGMAR1 2849/4885MAOB 888/4885ADRA2A 2021/4885
US-20130237537-A1 METHOD OF TREATING CONDITIIONS WITH KINASE INHIBITORS CDK5, MAP3K1, ALDH1A2 SIGMAR1 3089/4885MAOB 889/4885ADRA2A 2380/4885
US-20130237538-A1 KINASE INHIBITORS MAP3K1, MAP3K6, MAP3K2 SIGMAR1 3695/4885MAOB 1653/4885ADRA2A 3744/4885

“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.