Hydrochloric Acid

Hydrochloric Acid

SCHEMBL18166972

CSc1nccc(N2CCC(N(C)C(=O)OC3CCNC3)CC2)n1.Cl

nearest known ligand 0.39

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
GAA known ✓ P10253 1/20 0.39
HRH3 known ✓ Q9Y5N1 2/20 0.34
OPRD1 known ✓ P41143 1/20 0.32
KCNH2 known ✓ Q12809 3/20 0.32
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
F10 P00742 1/20 0.34
HRH4 Q9H3N8 3/20 0.34
PDE10A Q9Y233 3/20 0.34
TAF1 P21675 2/20 0.33
CECR2 Q9BXF3 2/20 0.33
BRD9 Q9H8M2 2/20 0.33
ACACB O00763 4/20 0.32
RPLP1 P05386 3/20 0.32
RPLP0 P05388 3/20 0.32
RPS17 P08708 3/20 0.32
RPSA P08865 3/20 0.32
RPS2 P15880 3/20 0.32

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 SCHEMBL18166971 1.00 ALDH1A1 (0.39) ALDH1A1LMNAGAAMAPTSMN1; SMN2
SCHEMBL16855474 0.99 ALDH1A1 (0.40) ALDH1A1LMNAGAAMAPTSMN1; SMN2
SCHEMBL20544017 0.81 MAPT (0.49) ALDH1A1LMNAGAAMAPTSMN1; SMN2
SCHEMBL16855357 0.79 PDE10A (0.49) ALDH1A1LMNAGAAMAPTSMN1; SMN2
SCHEMBL16855544 0.79 GPR119 (0.51) ALDH1A1LMNAGAAMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL18185027 0.79 ALDH1A1 (0.40) ALDH1A1LMNAGAAMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL18185029 0.79 ALDH1A1 (0.40) ALDH1A1LMNAGAAMAPTSMN1; SMN2
SCHEMBL18166981 0.78 GPR119 (0.49) PDE10A
SCHEMBL18166980 0.78 GPR119 (0.49) PDE10A
SCHEMBL803732 0.77 SIGMAR1 (0.45) ALDH1A1LMNAGAAMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160318896-A1 NOVEL PIPERIDINE CARBOXAMIDE COMPOUND, PREPARATION METHOD, AND USAGE THEREOF INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2016-11-03 US claimed
EP-3085700-A1 NOVEL PIPERIDINE CARBOXAMIDE COMPOUND, PREPARATION METHOD, AND USAGE THEREOF Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.A. China (CN) 2016-10-26 EP claimed
US-11447463-B2 Piperidine carboxamide compound, preparation method, and use thereof Institute of Pharmacology and Toxicology Academy of Millitary Medical Sciences P.L.A. China (CN) 2022-09-20 US disclosed
US-20190233390-A1 NOVEL PIPERIDINE CARBOXAMIDE COMPOUND, PREPARATION METHOD, AND USE THEREOF Institute of Pharmacology and Toxicology Academy of Millitary Medical Sciences P.L.A. China (CN) 2019-08-01 US disclosed
US-10301279-B2 Piperidine carboxamide compound, preparation method, and use thereof INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2019-05-28 US disclosed
US-20180044321-A1 NOVEL PIPERIDINE CARBOXAMIDE COMPOUND, PREPARATION METHOD, AND USE THEREOF INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2018-02-15 US disclosed
US-9840489-B2 Piperidine carboxamide compound, preparation method, and usage thereof INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2017-12-12 US disclosed
US-20160318896-A1 NOVEL PIPERIDINE CARBOXAMIDE COMPOUND, PREPARATION METHOD, AND USAGE THEREOF INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2016-11-03 US disclosed
EP-3085700-A1 NOVEL PIPERIDINE CARBOXAMIDE COMPOUND, PREPARATION METHOD, AND USAGE THEREOF Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.A. China (CN) 2016-10-26 EP 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 (5 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-20180044321-A1 NOVEL PIPERIDINE CARBOXAMIDE COMPOUND, PREPARATION METHOD, AND USE THEREOF HSF1, HSP90AB1, HEATR1 GAA 1356/4885HRH3 1568/4885OPRD1 1498/4885
US-10301279-B2 Piperidine carboxamide compound, preparation method, and use thereof HSF1, HSP90AB1, HSPD1 GAA 1167/4885HRH3 1700/4885OPRD1 1494/4885
US-20160318896-A1 NOVEL PIPERIDINE CARBOXAMIDE COMPOUND, PREPARATION METHOD, AND USAGE THEREOF HSF1, HSP90AB1, HSP90AA1 GAA 1344/4885HRH3 1587/4885OPRD1 1321/4885
US-20190233390-A1 NOVEL PIPERIDINE CARBOXAMIDE COMPOUND, PREPARATION METHOD, AND USE THEREOF HSF1, HSP90AB1, HEATR1 GAA 1356/4885HRH3 1568/4885OPRD1 1498/4885
US-11447463-B2 Piperidine carboxamide compound, preparation method, and use thereof HSF1, HSP90AB1, HSPD1 GAA 1167/4885HRH3 1700/4885OPRD1 1494/4885

“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.