Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5388289

Cl.NC(Cc1ccccc1)CC(F)(F)F

nearest known ligand 0.61

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
▸ SLC6A2 known ✓ P23975 2/20 0.47
▸ MAOA known ✓ P21397 1/20 0.47
▸ SLC6A4 known ✓ P31645 1/20 0.47
▸ SLC6A3 known ✓ Q01959 1/20 0.47
▸ SIGMAR1 known ✓ Q99720 1/20 0.47
▸ PTGS1 known ✓ P23219 1/20 0.42
▸ SCN4A known ✓ P35499 2/20 0.41
▸ EPHX1 P07099 1/20 0.61
▸ ANPEP P15144 2/20 0.53
▸ TAAR1 Q96RJ0 2/20 0.47
▸ CYP2A6 P11509 1/20 0.47
▸ ADORA2A P29274 1/20 0.47
▸ ADORA1 P30542 1/20 0.47
▸ CYP2D6 P10635 1/20 0.44
▸ ALPI P09923 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ XIAP P98170 1/20 0.42
▸ SLC7A5 Q01650 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ LMNA P02545 1/20 0.42

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 0.82 SLC6A4 (0.41) EPHX1ANPEPTAAR1SLC6A4
SCHEMBL20821476 0.82 EPHX1 (0.59) EPHX1ANPEPSLC6A2TAAR1MAOA
Hydrochloric Acid SCHEMBL5379458 0.81 SLC6A4 (0.64) EPHX1SLC6A2TAAR1SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL5390054 0.80 SLC1A1 (0.48) EPHX1TAAR1
Hydrochloric Acid SCHEMBL9402300 0.80 EPHX1 (0.94) EPHX1ANPEPSLC6A2TAAR1MAOA
SCHEMBL5704601 0.79 CSNK1E (0.51) EPHX1ANPEPSLC6A2TAAR1MAOA
SCHEMBL16736185 0.78 EPHX1 (0.53) EPHX1ANPEPSLC6A2TAAR1MAOA
SCHEMBL28656 0.78 EPHX1 (1.00) EPHX1ANPEPSLC6A2TAAR1MAOA
SCHEMBL15250377 0.78 EPHX1 (0.64) EPHX1ANPEPSLC6A2TAAR1MAOA
SCHEMBL20992605 0.78 EPHX1 (0.64) EPHX1ANPEPSLC6A2TAAR1MAOA

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 18 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-1320365-A4 SUBSTITUTED AZOLE DERIVATIVES AS INHIBITORS OF CORTICOTROPIN RELEASING FACTOR BRISTOL MYERS SQUIBB CO (US) 2004-03-17 — — EP disclosed
EP-1359916-A1 IMIDAZOLYL DERIVATIVES AS CORTICOTROPIN RELEASING FACTOR INHIBITORS Bristol-Myers Squibb Company (US) 2003-11-12 — — EP disclosed
EP-1320365-A1 SUBSTITUTED AZOLE DERIVATIVES AS INHIBITORS OF CORTICOTROPIN RELEASING FACTOR Bristol-Myers Squibb Company (US) 2003-06-25 — — 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
WO-2002024200-A1 SUBSTITUTED AZOLE DERIVATIVES AS INHIBITORS OF CORTICOTROPIN RELEASING FACTOR BRISTOL-MYERS SQUIBB COMPANY (US) 2002-03-28 — — 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 SLC6A2 805/4885MAOA 1258/4885SLC6A4 599/4885
US-20020161019-A1 Substituted azole derivatives as inhibitors of corticotropin releasing factor CRH, CRHR1, CRHR2 SLC6A2 973/4885MAOA 1512/4885SLC6A4 455/4885
US-20040225130-A1 Imidazolyl derivatives as corticotropin releasing factor inhibitors CRH, CRHR1, CRHR2 SLC6A2 805/4885MAOA 1258/4885SLC6A4 599/4885
US-20020183375-A1 Imidazolyl derivatives as corticotropin releasing factor inhibitors CRH, CRHR1, CRHR2 SLC6A2 805/4885MAOA 1258/4885SLC6A4 599/4885
US-20040254382-A1 Imidazolyl derivatives as corticotropin releasing factor inhibitors CRH, CRHR1, CRHR2 SLC6A2 805/4885MAOA 1258/4885SLC6A4 599/4885
US-20040235924-A1 Imidazolyl derivatives as corticotropin releasing factor inhibitors CRH, CRHR1, CRHR2 SLC6A2 805/4885MAOA 1258/4885SLC6A4 599/4885

“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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