Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4384839

CN(C)CCC(=O)c1ccc(F)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 11)

geneUniProtsupporting neighboursconfidence
HTR7 known ✓ P34969 1/20 0.58
EGFR known ✓ P00533 2/20 0.54
GSR P00390 2/20 0.63
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
THRA P10827 9/20 0.54
THRB P10828 8/20 0.54
KMT2A Q03164 1/20 0.50
PTPN1 P18031 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL4897835 0.98 NPC1 (0.62) GSRNPC1RAB9AHTR7THRA
Hydrochloric Acid SCHEMBL10353476 0.90 GSR (0.73) GSRTHRATHRBEGFRKMT2A
SCHEMBL9509983 0.88 GSR (0.72) GSRTHRATHRBEGFRKMT2A
SCHEMBL3822016 0.87 NPC1 (0.69) GSRNPC1RAB9AHTR7THRA
Hydrochloric Acid SCHEMBL3327743 0.83 GSR (0.65) GSRNPC1RAB9ATHRATHRB
Hydrochloric Acid SCHEMBL5954533 0.83 GSR (0.65) GSRNPC1RAB9ATHRATHRB
Hydrochloric Acid SCHEMBL10430606 0.81 GSR (0.63) GSRTHRATHRBEGFRKMT2A
Hydrochloric Acid SCHEMBL3334657 0.81 GSR (0.63) GSRTHRATHRBEGFRKMT2A
Hydrochloric Acid SCHEMBL11391547 0.81 ALDH1A1 (0.59) NPC1RAB9AHTR7KMT2APTPN1
SCHEMBL5458640 0.81 GSR (0.64) GSRNPC1RAB9ATHRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119912424-A Crystal forms of (R) -3- [ (benzodioxol-4-yl) oxy ] -N, N-dimethyl-3- (4-fluorophenyl) propylamine oxalate and preparation method and application thereof 江苏恩华药业股份有限公司 2025-05-02 CN disclosed
US-20220348565-A1 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LIMITED (GB) 2022-11-03 US disclosed
EP-4034246-A1 PHARMACEUTICAL COMPOUNDS Sentinel Oncology Limited (GB) 2022-08-03 EP disclosed
CN-114585605-A Pharmaceutical compounds 圣提内尔肿瘤学有限公司 2022-06-03 CN disclosed
WO-2021058754-A1 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LIMITED (GB) 2021-04-01 WO disclosed
EP-1606289-B1 CARBOXAMIDE DERIVATIVES GLAXO GROUP LTD (GB) 2009-12-02 EP disclosed
US-7531558-B2 e.g. 6-(4-Fluorophenyl)-2-methyl-N-(2-methylbenzothiazol-5-yl)nicotinamide; vanilloid (capsaicin) receptor modulator; analgesic; chronic, neuropathic, postoperative, postrheumatoid arthritic, osteoarthritic, back, cancer, dental pain, algesia, neuralgia, migraine, neuropathies, ischaemia GLAXO GROUP LIMITED (GB) 2009-05-12 US disclosed
US-20060148855-A1 Carboxamide derivatives GLAXO GROUP LIMITED (GB) 2006-07-06 US disclosed
EP-1606289-A1 CARBOXAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-12-21 EP disclosed
WO-2004072069-A1 CARBOXAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2004-08-26 WO disclosed
EP-0458387-B1 Isochromane derivatives AKZO NOBEL NV (NL) 1996-07-03 EP disclosed
EP-0399504-B1 Aryloxyphenylpropylamines their preparation and use NOVO NORDISK AS (DK) 1995-05-03 EP disclosed
US-5393759-A Isochromane derivatives AKZO N.V. (NL) 1995-02-28 US disclosed
US-5310756-A Aryloxyphenylpropylamines and their calcium overload blocking compositions and methods of use NOVO NORDISK A/S (DK) 1994-05-10 US disclosed
US-5238939-A Isochromane derivatives AKZO N.V. (NL) 1993-08-24 US disclosed
US-5145870-A Treating calcium overload in brain cells, anoxia, migraine, ischemia, epilepsy, neurodegenerative diseases NOVO NORDISK A/S (DK) 1992-09-08 US disclosed
EP-0458387-A1 Isochromane derivatives Akzo Nobel N.V. (NL) 1991-11-27 EP disclosed
EP-0399504-A2 Aryloxyphenylpropylamines their preparation and use NOVO NORDISK A/S (DK) 1990-11-28 EP disclosed
US-4585785-A HYPOTENSIVES, ANTIDEPRESSANTS A. H. ROBINS COMPANY, INC. (US) 1986-04-29 US disclosed
US-4452809-A ANTIARRHYMIA, HYPOTENSIVE AGENTS A. H. ROBINS COMPANY, INC. (US) 1984-06-05 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 (2 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-20220348565-A1 PHARMACEUTICAL COMPOUNDS PLK1, PLK4, PLK2 HTR7 1267/4885EGFR 478/4885GSR 4554/4885
US-20060148855-A1 Carboxamide derivatives CNR2, CNR1, SUCNR1 HTR7 341/4885EGFR 1095/4885GSR 1725/4885

“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.