Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5379458

Cl.NC(Cc1ccc(Cl)cc1)CC(F)(F)F

nearest known ligand 0.64

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
▸ SLC6A4 known ✓ P31645 3/20 0.64
▸ SLC6A2 known ✓ P23975 2/20 0.50
▸ SLC6A3 known ✓ Q01959 2/20 0.50
▸ DPP4 known ✓ P27487 2/20 0.38
▸ HTR2A known ✓ P28223 1/20 0.37
▸ HRH1 known ✓ P35367 1/20 0.37
▸ HTR2B known ✓ P41595 1/20 0.37
▸ GAA known ✓ P10253 1/20 0.37
▸ PPARG known ✓ P37231 1/20 0.36
▸ MAOB known ✓ P27338 1/20 0.36
▸ IDO1 P14902 3/20 0.38
▸ AGXT P21549 2/20 0.38
▸ DPP7 Q9UHL4 1/20 0.38
▸ DPP8 Q6V1X1 1/20 0.38
▸ DPP9 Q86TI2 1/20 0.38
▸ EPHX1 P07099 1/20 0.38
▸ CHRNA4 P43681 1/20 0.37
▸ TAAR1 Q96RJ0 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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 SCHEMBL5386066 0.83 SLC6A4 (0.41) SLC6A4IDO1AGXTDPP4DPP7
Hydrochloric Acid SCHEMBL5388289 0.81 EPHX1 (0.61) SLC6A4SLC6A2SLC6A3EPHX1TAAR1
Hydrochloric Acid SCHEMBL5381337 0.77 SLC6A4 (0.57) SLC6A4SLC6A2SLC6A3IDO1AGXT
Hydrochloric Acid SCHEMBL4291743 0.76 SLC6A4 (0.75) SLC6A4SLC6A2SLC6A3IDO1AGXT
SCHEMBL29386749 0.76 SLC6A4 (0.75) SLC6A4SLC6A2SLC6A3IDO1AGXT
Hydrochloric Acid SCHEMBL4291748 0.76 SLC6A4 (0.75) SLC6A4SLC6A2SLC6A3IDO1AGXT
SCHEMBL7957756 0.74 SLC6A4 (0.78) SLC6A4SLC6A2SLC6A3IDO1AGXT
SCHEMBL9921946 0.74 SLC6A4 (0.78) SLC6A4SLC6A2SLC6A3IDO1AGXT
SCHEMBL652674 0.74 SLC6A4 (0.78) SLC6A4SLC6A2SLC6A3IDO1AGXT
SCHEMBL3441646 0.74 SLC6A4 (0.78) SLC6A4SLC6A2SLC6A3IDO1AGXT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7244746-B2 Imidazolyl derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-17 — — US disclosed
US-7238699-B2 Imidazolyl derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-03 — — US disclosed
US-7211669-B2 Imidazolyl derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-01 — — US disclosed
US-7125990-B2 Imidazolyl derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2006-10-24 — — US disclosed
US-6888004-B2 Imidazolyl derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2005-05-03 — — US disclosed
US-20040254382-A1 Imidazolyl derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-12-16 — — US disclosed
US-20040235924-A1 Imidazolyl derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-11-25 — — US disclosed
US-20040225130-A1 Imidazolyl derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-11-11 — — US disclosed
US-20040225001-A1 Imidazolyl derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-11-11 — — US disclosed
EP-1359916-A4 IMIDAZOLYL DERIVATIVES AS CORTICOTROPIN RELEASING FACTOR INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2004-04-07 — — EP disclosed
EP-1359916-A1 IMIDAZOLYL DERIVATIVES AS CORTICOTROPIN RELEASING FACTOR INHIBITORS Bristol-Myers Squibb Company (US) 2003-11-12 — — EP disclosed
US-6515005-B2 For treatment of depression, anxiety, feeding disorders, headache, drug addiction, inflammatory disorders BRISTOL-MYERS SQUIBB COMPANY 2003-02-04 — — US disclosed
US-20020183375-A1 Imidazolyl derivatives as corticotropin releasing factor inhibitors BRISTOL-MYERS SQUIBB COMPANY 2002-12-05 — — US disclosed
US-20020161019-A1 Substituted azole derivatives as inhibitors of corticotropin releasing factor BRISTOL-MYERS SQUIBB COMPANY 2002-10-31 — — US disclosed
WO-2002058704-A1 IMIDAZOLYL DERIVATIVES AS CORTICOTROPIN RELEASING FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-01 — — 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 (6 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-20040225001-A1 Imidazolyl derivatives as corticotropin releasing factor inhibitors CRH, CRHR1, CRHR2 SLC6A4 599/4885SLC6A2 805/4885SLC6A3 627/4885
US-20020161019-A1 Substituted azole derivatives as inhibitors of corticotropin releasing factor CRH, CRHR1, CRHR2 SLC6A4 455/4885SLC6A2 973/4885SLC6A3 663/4885
US-20040225130-A1 Imidazolyl derivatives as corticotropin releasing factor inhibitors CRH, CRHR1, CRHR2 SLC6A4 599/4885SLC6A2 805/4885SLC6A3 627/4885
US-20020183375-A1 Imidazolyl derivatives as corticotropin releasing factor inhibitors CRH, CRHR1, CRHR2 SLC6A4 599/4885SLC6A2 805/4885SLC6A3 627/4885
US-20040254382-A1 Imidazolyl derivatives as corticotropin releasing factor inhibitors CRH, CRHR1, CRHR2 SLC6A4 599/4885SLC6A2 805/4885SLC6A3 627/4885
US-20040235924-A1 Imidazolyl derivatives as corticotropin releasing factor inhibitors CRH, CRHR1, CRHR2 SLC6A4 599/4885SLC6A2 805/4885SLC6A3 627/4885

“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.

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