Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3297629

CCn1c(=O)n(C(=O)NCC2CCN(CC(COc3ccccc3)NC(=O)O)CC2)c2ccccc21.Cl

nearest known ligand 0.46

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 8)

geneUniProtsupporting neighboursconfidence
HTR4 known ✓ Q13639 3/20 0.43
SIGMAR1 known ✓ Q99720 1/20 0.42
HTR3A known ✓ P46098 1/20 0.42
DRD4 known ✓ P21917 1/20 0.38
ACHE known ✓ P22303 1/20 0.37
TMEM97 Q5BJF2 1/20 0.42
FAAH O00519 1/20 0.37
CNR2 P34972 1/20 0.36

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
SCHEMBL3304360 0.99 HTR4 (0.43) HTR4TMEM97SIGMAR1HTR3ADRD4
Hydrochloric Acid SCHEMBL3302841 0.95 FAAH (0.44) HTR4TMEM97SIGMAR1HTR3ADRD4
SCHEMBL3301226 0.94 FAAH (0.45) HTR4TMEM97SIGMAR1HTR3ADRD4
SCHEMBL3299666 0.94 FAAH (0.45) HTR4TMEM97SIGMAR1HTR3ADRD4
SCHEMBL3300553 0.90 HTR4 (0.42) HTR4TMEM97SIGMAR1HTR3ACNR2
SCHEMBL3299250 0.89 HTR4 (0.44) HTR4DRD4FAAHACHE
Hydrochloric Acid SCHEMBL3303270 0.89 HTR4 (0.57) HTR4
SCHEMBL2337246 0.88 DRD4 (0.51) TMEM97SIGMAR1DRD4
SCHEMBL15103639 0.88 HTR4 (0.58) HTR4
Hydrochloric Acid SCHEMBL3299526 0.85 ACHE (0.45) HTR4DRD4FAAHACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9593102-B2 Piperidine compounds, pharmaceutical composition comprising the same and its use SK BIOPHARMACEUTICALS CO., LTD. (KR) 2017-03-14 US claimed
US-20140135314-A1 PIPERIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME AND ITS USE SK BIOPHARMACEUTICALS CO., LTD. (KR) 2014-05-15 US claimed
EP-2358702-B1 PIPERIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME AND ITS USE SK BIOPHARMACEUTICALS CO LTD (KR) 2013-07-17 EP claimed
US-20100093801-A1 PIPERIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME AND ITS USE SK HOLDINGS CO., LTD. (KR) 2010-04-15 US claimed
US-20190092727-A1 Piperidine Compounds, Pharmaceutical Composition Comprising The Same And Its Use SK BIOPHARMACEUTICALS CO., LTD. (KR) 2019-03-28 US disclosed
US-10144709-B2 Piperidine compounds, pharmaceutical composition comprising the same and its use SK BIOPHARMACEUTICALS CO., LTD. (KR) 2018-12-04 US disclosed
US-20170275250-A1 PIPERIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME AND ITS USE SK BIOPHARMACEUTICALS CO LTD (KR) 2017-09-28 US disclosed
US-9676718-B2 Piperidine compounds, pharmaceutical composition comprising the same and its use SK BIOPHARMACEUTICALS CO., LTD. (KR) 2017-06-13 US disclosed
US-9593102-B2 Piperidine compounds, pharmaceutical composition comprising the same and its use SK BIOPHARMACEUTICALS CO., LTD. (KR) 2017-03-14 US disclosed
US-20160362374-A1 PIPERIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME AND ITS USE SK BIOPHARMACEUTICALS CO LTD (KR) 2016-12-15 US disclosed
US-20140135314-A1 PIPERIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME AND ITS USE SK BIOPHARMACEUTICALS CO., LTD. (KR) 2014-05-15 US disclosed
US-8642772-B2 Piperidine compounds, pharmaceutical composition comprising the same and its use SK BIOPHARMACEUTICALS CO., LTD. (KR) 2014-02-04 US disclosed
US-20100093801-A1 PIPERIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME AND ITS USE SK HOLDINGS CO., LTD. (KR) 2010-04-15 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 (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-20170275250-A1 PIPERIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME AND ITS USE PGC, VIP, PIGO HTR4 308/4885SIGMAR1 918/4885HTR3A 893/4885
US-10144709-B2 Piperidine compounds, pharmaceutical composition comprising the same and its use PGC, VIP, PIGO HTR4 308/4885SIGMAR1 918/4885HTR3A 893/4885
US-20190092727-A1 Piperidine Compounds, Pharmaceutical Composition Comprising The Same And Its Use PGC, VIP, PIGO HTR4 308/4885SIGMAR1 918/4885HTR3A 893/4885
US-20160362374-A1 PIPERIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME AND ITS USE PGC, VIP, PIGO HTR4 308/4885SIGMAR1 918/4885HTR3A 893/4885
US-20100093801-A1 PIPERIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME AND ITS USE PGC, VIP, PIGO HTR4 308/4885SIGMAR1 918/4885HTR3A 893/4885
US-20140135314-A1 PIPERIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME AND ITS USE PGC, VIP, PIGO HTR4 308/4885SIGMAR1 918/4885HTR3A 893/4885

“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.