Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1715149

COc1ccc(CN)cc1.Cl

nearest known ligand 0.77

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
MAOB known ✓ P27338 5/20 0.77
SLC6A4 known ✓ P31645 1/20 0.59
CA2 known ✓ P00918 1/20 0.55
TAAR1 Q96RJ0 1/20 0.64
IDO1 P14902 4/20 0.61
AGXT P21549 2/20 0.61
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
TDP1 Q9NUW8 2/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP3A4 P08684 1/20 0.54
ST14 Q9Y5Y6 1/20 0.54
LTA4H P09960 1/20 0.52
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAPK1 P28482 1/20 0.50

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
SCHEMBL4951818 0.97 MAOB (0.73) MAOBTAAR1IDO1AGXTSLC6A4
SCHEMBL8755 0.97 MAOB (0.73) MAOBTAAR1IDO1AGXTSLC6A4
Iodide SCHEMBL28780684 0.95 MAOB (0.70) MAOBTAAR1IDO1AGXTSLC6A4
Ammonia Solution, Strong SCHEMBL9173570 0.95 MAOB (0.70) MAOBTAAR1IDO1AGXTSLC6A4
Bromide SCHEMBL31513712 0.95 MAOB (0.70) MAOBTAAR1IDO1AGXTSLC6A4
Hydrochloric Acid SCHEMBL7011298 0.93 MAOB (0.68) MAOBTAAR1IDO1AGXTSLC6A4
Methyl Alcohol SCHEMBL28283803 0.93 MAOB (0.68) MAOBTAAR1IDO1AGXTSLC6A4
SCHEMBL5828695 0.91 MAOB (0.70) MAOBTAAR1IDO1AGXTSLC6A4
SCHEMBL920324 0.91 ST14 (0.68) MAOBTAAR1IDO1AGXTSLC6A4
Hypochlorous Acid SCHEMBL10950049 0.91 MAOB (0.66) MAOBTAAR1IDO1AGXTSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114524747-A Capsaicin derivative and preparation method and application thereof 中国中医科学院中药研究所 2022-05-24 CN claimed
US-10059654-B2 Composition containing 3-chloro-4-methoxybenzylamine hydrochloride, and method for producing same AIR WATER INC. (JP) 2018-08-28 US claimed
US-20180029974-A1 COMPOSITION CONTAINING 3-CHLORO-4-METHOXYBENZYLAMINE HYDROCHLORIDE, AND METHOD FOR PRODUCING SAME AIR WATER INC (JP) 2018-02-01 US claimed
EP-3138830-A1 COMPOSITION CONTAINING 3-CHLORO-4-METHOXYBENZYLAMINE HYDROCHLORIDE, AND METHOD FOR PRODUCING SAME Air Water Inc. (JP) 2017-03-08 EP claimed
US-20170044091-A1 COMPOSITION CONTAINING 3-CHLORO-4-METHOXYBENZYLAMINE HYDROCHLORIDE, AND METHOD FOR PRODUCING SAME AIR WATER INC. (JP) 2017-02-16 US claimed
CN-118771989-A Method for catalyzing hydrosilation reduction of amide into amine by using tridentate nitrogen ligand manganese complex 浙江工业大学 2024-10-15 CN disclosed
CN-115304578-B Organic-inorganic hybrid perovskite material, preparation method and application thereof, and electronic equipment 天津大学 2023-11-21 CN disclosed
CN-115304578-A Organic-inorganic hybrid perovskite material, preparation method and application thereof, and electronic device 天津大学 2022-11-08 CN disclosed
CN-114524747-B Capsaicin derivative and preparation method and application thereof 中国中医科学院中药研究所 2022-07-15 CN disclosed
CN-114524747-A Capsaicin derivative and preparation method and application thereof 中国中医科学院中药研究所 2022-05-24 CN disclosed
EP-3350170-B1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2022-01-26 EP disclosed
CN-108290879-B Heteroaryl compounds as IRAK inhibitors and uses thereof 默克专利有限公司 2022-01-11 CN disclosed
EP-0853626-A1 SUBSTITUTED PHOSPHINIC COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Novartis AG (CH) 1998-07-22 EP disclosed
WO-1998022494-A2 METHODS AND COMPOUNDS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1998-05-28 WO disclosed
US-5714599-A Process for the preparation of ste specific 1'-spiro-nucleosides NOVARTIS CORPORATION (US) 1998-02-03 US disclosed
US-5641882-A Intermediates for the preparation of 1',1'-disubstituted and 1'-spiro-nucleosides CIBA-GEIGY CORPORATION (US) 1997-06-24 US disclosed
WO-1997009335-A1 SUBSTITUTED PHOSPHINIC COMPOUNDS AND THEIR USE AS PHARMACEUTICALS NOVARTIS AG (CH) 1997-03-13 WO disclosed
EP-0625144-A1 PYRIDONE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICINES SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1994-11-23 EP disclosed
WO-1993015056-A1 PYRIDONE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICINES SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1993-08-05 WO disclosed
US-4507499-A N-(4-Hydroxybenzyl)-3,4,5-trimethoxybenzamide and method for producing trimethobenzamide chlorohydrate FRANCIS S.P.A. (IT) 1985-03-26 US 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-10059654-B2 Composition containing 3-chloro-4-methoxybenzylamine hydrochloride, and method for producing same CMBL, HAO2, CPNE4 MAOB 10/4885SLC6A4 2037/4885CA2 364/4885
US-20170044091-A1 COMPOSITION CONTAINING 3-CHLORO-4-METHOXYBENZYLAMINE HYDROCHLORIDE, AND METHOD FOR PRODUCING SAME CMBL, HAO2, CPNE4 MAOB 10/4885SLC6A4 2037/4885CA2 364/4885
US-20180029974-A1 COMPOSITION CONTAINING 3-CHLORO-4-METHOXYBENZYLAMINE HYDROCHLORIDE, AND METHOD FOR PRODUCING SAME CMBL, HAO2, CPNE4 MAOB 10/4885SLC6A4 2037/4885CA2 364/4885

“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.