Hydrochloric Acid

Hydrochloric Acid

SCHEMBL337907

CC(CN)c1ccccc1.Cl

nearest known ligand 0.95

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 12)

geneUniProtsupporting neighboursconfidence
HTR2A known ✓ P28223 1/20 0.56
SLC6A2 known ✓ P23975 2/20 0.48
SLC6A4 known ✓ P31645 2/20 0.48
SLC6A3 known ✓ Q01959 2/20 0.48
HRH1 known ✓ P35367 1/20 0.46
TAAR1 Q96RJ0 5/20 0.95
AOC3 Q16853 2/20 0.56
TRPA1 O75762 3/20 0.48
RIPK1 Q13546 1/20 0.48
ALDH1A1 P00352 1/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46

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 SCHEMBL28303526 1.00 TAAR1 (0.95) TAAR1HTR2AAOC3TRPA1SLC6A2
Hydrochloric Acid SCHEMBL28303473 1.00 TAAR1 (0.95) TAAR1HTR2AAOC3TRPA1SLC6A2
SCHEMBL238388 0.97 TAAR1 (1.00) TAAR1HTR2AAOC3TRPA1RIPK1
SCHEMBL240503 0.97 TAAR1 (1.00) TAAR1HTR2AAOC3TRPA1RIPK1
SCHEMBL2107 0.97 TAAR1 (1.00) TAAR1HTR2AAOC3TRPA1RIPK1
Bromide SCHEMBL29883460 0.95 TAAR1 (0.95) TAAR1HTR2AAOC3TRPA1RIPK1
Bromide SCHEMBL28358414 0.95 TAAR1 (0.95) TAAR1HTR2AAOC3TRPA1RIPK1
SCHEMBL28569125 0.89 TAAR1 (0.83) TAAR1HTR2AAOC3TRPA1RIPK1
SCHEMBL1930994 0.89 TAAR1 (0.83) TAAR1HTR2AAOC3TRPA1RIPK1
SCHEMBL28569127 0.89 TAAR1 (0.83) TAAR1HTR2AAOC3TRPA1RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111217741-A Fluorine-substituted monocarbazole derivative, preparation method and application thereof 广东省中医院(广州中医药大学第二附属医院、广州中医药大学第二临床医学院、广东省中医药科学院) 2020-06-02 CN claimed
CN-117820236-A Histone acetyltransferase small molecule inhibitor and preparation method and application thereof 复旦大学 2024-04-05 CN disclosed
CN-109942499-B Quinazoline derivative and preparation method and application thereof 湖南中医药大学 2022-03-22 CN disclosed
CN-111217741-B Fluorine-substituted monocarbazole derivative, preparation method and application thereof 广东省中医院(广州中医药大学第二附属医院、广州中医药大学第二临床医学院、广东省中医药科学院) 2022-03-15 CN disclosed
CN-111217741-A Fluorine-substituted monocarbazole derivative, preparation method and application thereof 广东省中医院(广州中医药大学第二附属医院、广州中医药大学第二临床医学院、广东省中医药科学院) 2020-06-02 CN disclosed
CN-109942499-A Quinazoline derivant and its preparation method and application 湖南中医药大学 2019-06-28 CN disclosed
US-9328125-B2 Bivalent AMPA receptor positive allosteric modulators THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-05-03 US disclosed
US-20150057248-A1 BIVALENT AMPA RECEPTOR POSITIVE ALLOSTERIC MODULATORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-02-26 US disclosed
US-8476297-B2 TRP-M8 receptor ligands and their use in treatments AMGEN INC. (US) 2013-07-02 US disclosed
EP-2571880-A1 PYRROLO [2, 3 - B]PYRAZINE - 7 - CARBOXAMIDE DERIVATIVES AND THEIR USE AS JAK AND SYK INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2013-03-27 EP disclosed
CN-1429204-A Process for producing biphenyl compound LILLY CO ELI (US) 2003-07-09 CN disclosed
CN-1429206-A Sulfonamide derivatives LILLY CO ELI (US) 2003-07-09 CN disclosed
CN-1429205-A Sulfonamide derivatives ELILILLY AND COMPANY (US) 2003-07-09 CN disclosed
US-20030092770-A1 Combination therapy for treatment of depression ELI LILLY AND COMPANY 2003-05-15 US disclosed
US-20030092947-A1 Process for preparing biphenyl compounds GARDNER JOHN PAUL (US) 2003-05-15 US disclosed
US-6300501-B1 Histidine-(N-benzyl glycinamide) inhibitors of protein farnesyl transferase WARNER-LAMBERT COMPANY 2001-10-09 US disclosed
EP-0938494-A1 INHIBITORS OF PROTEIN FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 1999-09-01 EP disclosed
WO-1997044350-A1 INHIBITORS OF PROTEIN FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 1997-11-27 WO disclosed
CN-1011780-B PROCESS FOR PRODUCING PHENOXYACETIC ACID DERIVATIVES TANABE SEIYAKU CO (JP) 1991-02-27 CN disclosed
CN-87105501-A New phenoxyacetic acid derivative and preparation method thereof and contain its and form as the medicine of activeconstituents 1988-02-17 CN 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 (3 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-20030092770-A1 Combination therapy for treatment of depression GRM2, GRIK2, GRIN2A HTR2A 105/4885SLC6A2 113/4885SLC6A4 106/4885
US-20030092947-A1 Process for preparing biphenyl compounds CYP1B1, CYP4B1, CYP2B6 HTR2A 1777/4885SLC6A2 1195/4885SLC6A4 1605/4885
US-20150057248-A1 BIVALENT AMPA RECEPTOR POSITIVE ALLOSTERIC MODULATORS GRIK2, GABRE, GRIK4 HTR2A 373/4885SLC6A2 1436/4885SLC6A4 1084/4885

“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.