Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3219768

COC(=O)[C@H](N)CCCN.Cl.Cl

nearest known ligand 0.55

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 18)

geneUniProtsupporting neighboursconfidence
DPP4 known ✓ P27487 2/20 0.42
CA2 known ✓ P00918 1/20 0.38
RRM1 known ✓ P23921 1/20 0.36
GSR P00390 1/20 0.47
DPP7 Q9UHL4 4/20 0.42
DPP8 Q6V1X1 2/20 0.42
DPP9 Q86TI2 2/20 0.42
GNAI3 P08754 1/20 0.41
GNAO1 P09471 1/20 0.41
GNAI1 P63096 1/20 0.41
CA1 P00915 1/20 0.38
TLR2 O60603 1/20 0.37
CYP1A2 P05177 1/20 0.36
ZDHHC7 Q9NXF8 1/20 0.36
CPB2 Q96IY4 1/20 0.36
ERAP2 Q6P179 1/20 0.36
LNPEP Q9UIQ6 1/20 0.36
LTA4H P09960 1/20 0.35

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 SCHEMBL3219777 1.00 GSR (0.47) GSRDPP7DPP8DPP9DPP4
Hydrochloric Acid SCHEMBL1518387 1.00 GSR (0.47) GSRDPP7DPP8DPP9DPP4
Hydrochloric Acid SCHEMBL4812497 1.00 GSR (0.47) GSRDPP7DPP8DPP9DPP4
Hydrochloric Acid SCHEMBL3218034 1.00 GSR (0.47) GSRDPP7DPP8DPP9DPP4
Hydrochloric Acid SCHEMBL4806054 1.00 GSR (0.47) GSRDPP7DPP8DPP9DPP4
SCHEMBL569592 0.98 GSR (0.48) GSRDPP7DPP8DPP9DPP4
SCHEMBL569593 0.98 GSR (0.48) GSRDPP7DPP8DPP9DPP4
SCHEMBL1518233 0.98 GSR (0.48) GSRDPP7DPP8DPP9DPP4
Fluoride SCHEMBL27593971 0.96 GSR (0.47) GSRDPP7DPP8DPP9DPP4
Hydrochloric Acid SCHEMBL1518095 0.94 GSR (0.55) GSRDPP7DPP8DPP9DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029941-A1 PREPARATION OF (R)-3-AMINOPIPERIDINE DIHYDROCHLORIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-04 US claimed
EP-1999108-A1 PREPARATION OF (R)-3-AMINOPIPERIDINE DIHYDROCHLORIDE Takeda Pharmaceutical Company Limited (JP) 2008-12-10 EP claimed
WO-2007112368-A1 PREPARATION OF (R)-3-AMINOPIPERIDINE DIHYDROCHLORIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-10-04 WO claimed
CN-103864640-A N, N '-bis pyrene butyryl ornithine and application thereof UNIV SOUTH CHINA NORMAL 2014-06-18 CN disclosed
US-20100029941-A1 PREPARATION OF (R)-3-AMINOPIPERIDINE DIHYDROCHLORIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-04 US disclosed
US-20100029941-A1 PREPARATION OF (R)-3-AMINOPIPERIDINE DIHYDROCHLORIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-04 US disclosed
EP-1999108-A1 PREPARATION OF (R)-3-AMINOPIPERIDINE DIHYDROCHLORIDE Takeda Pharmaceutical Company Limited (JP) 2008-12-10 EP disclosed
EP-1999108-A1 PREPARATION OF (R)-3-AMINOPIPERIDINE DIHYDROCHLORIDE Takeda Pharmaceutical Company Limited (JP) 2008-12-10 EP disclosed
WO-2007112368-A1 PREPARATION OF (R)-3-AMINOPIPERIDINE DIHYDROCHLORIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-10-04 WO disclosed
WO-2007112368-A1 PREPARATION OF (R)-3-AMINOPIPERIDINE DIHYDROCHLORIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-10-04 WO 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 (1 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-20100029941-A1 PREPARATION OF (R)-3-AMINOPIPERIDINE DIHYDROCHLORIDE DNPEP, DPP4, DPP3 DPP4 2/4885CA2 236/4885RRM1 1081/4885

“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.