Hydrochloric Acid

Hydrochloric Acid

SCHEMBL497712

CC#CCn1c(N2CCCC(N)C2)nc2c1c(=O)n(Cc1ncccc1C#N)c(=O)n2C.Cl

nearest known ligand 0.80

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 2)

geneUniProtsupporting neighboursconfidence
DPP4 known ✓ P27487 20/20 0.80
CHRM1 known ✓ P11229 4/20 0.68

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 SCHEMBL497580 1.00 DPP4 (0.80) DPP4CHRM1
Hydrochloric Acid SCHEMBL15049683 1.00 DPP4 (0.80) DPP4CHRM1
Hydrochloric Acid SCHEMBL497609 1.00 DPP4 (0.80) DPP4CHRM1
Water SCHEMBL14698371 0.99 DPP4 (0.81) DPP4CHRM1
Water SCHEMBL14698370 0.99 DPP4 (0.81) DPP4CHRM1
SCHEMBL196623 0.99 DPP4 (0.81) DPP4CHRM1
SCHEMBL196624 0.99 DPP4 (0.81) DPP4CHRM1
SCHEMBL497393 0.99 DPP4 (0.81) DPP4CHRM1
SCHEMBL8270380 0.92 DPP4 (0.69) DPP4CHRM1
SCHEMBL9910543 0.92 DPP4 (0.69) DPP4CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3318247-A1 TASTE MASKED PHARMACEUTICAL COMPOSITION Boehringer Ingelheim Vetmedica GmbH (DE) 2018-05-09 EP claimed
EP-2741736-B1 TASTE MASKED PHARMACEUTICAL COMPOSITION BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 2017-11-22 EP claimed
US-20160346288-A1 1-[(3-CYANO-PYRIDIN-2-YL)METHYL]-3-METHYL-7-(2-BUTYN-1-YL)-8-[3-(R)-AMINO-PIPERIDIN-1-YL]-XANTHINE FOR THE TREATMENT OF A METABOLIC DISORDER OF A PREDOMINANTLY CARNIVOROUS NON-HUMAN ANIMAL BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 2016-12-01 US claimed
US-20140228287-A1 1-[(3-CYANO-PYRIDIN-2-YL)METHYL]-3-METHYL-7-(2-BUTYN-1-YL)-8-[3-(R)-AMINO-PIPERIDIN-1-YL]-AXANTHINE FOR THE TREATMENT OF A METABOLIC DISORDER OF A PREDOMINANTLY CARNIVOROUS NON-HUMAN ANIMAL BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 2014-08-14 US claimed
US-20140227351-A1 TASTE MASKED PHARMACEUTICAL COMPOSITION BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 2014-08-14 US claimed
EP-2741736-A1 TASTE MASKED PHARMACEUTICAL COMPOSITION Boehringer Ingelheim Vetmedica GmbH (DE) 2014-06-18 EP claimed
US-8741350-B2 Taste masked pharmaceutical composition BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 2014-06-03 US claimed
EP-1912990-B1 HYDROCHLORIDES AND HYDRATES OF 1-[(3-CYANOPYRIDIN-2-YL)METHYL]-3-METHYL-7-(2-BUTYN-1-YL)-8-(3-AMINOPIPERIDIN-1-YL)XANTHINE, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2013-06-26 EP claimed
US-20130084332-A1 TASTE MASKED PHARMACEUTICAL COMPOSITION BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 2013-04-04 US claimed
WO-2013024023-A1 TASTE MASKED PHARMACEUTICAL COMPOSITION BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 2013-02-21 WO claimed
EP-2549996-A1 1-[(3-CYANO-PYRIDIN-2-YL)METHYL]-3-METHYL-7-(2-BUTYN-1-YL)-8-[3-(R)-AMIN0-PIPERIDIN-1-YL]-XANTHINE FOR THE TREATMENT OF A METABOLIC DISORDER OF A PREDOMINANTLY CARNIVOROUS NON-HUMAN ANIMAL Boehringer Ingelheim Vetmedica GmbH (DE) 2013-01-30 EP claimed
US-20110237532-A1 1-[(3-CYANO-PYRIDIN-2-YL)METHYL]-3-METHYL-7-(2-BUTYN-1-YL)-8-[3-(R)-AMINO-PIPERIDIN-1-YL]-XANTHINE FOR THE TREATMENT OF A METABOLIC DISORDER OF A PREDOMINANTLY CARNIVOROUS NON-HUMAN ANIMAL BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 2011-09-29 US claimed
WO-2011117295-A1 1-[(3-CYANO-PYRIDIN-2-YL)METHYL]-3-METHYL-7-(2-BUTYN-1-YL)-8-[3-(R)-AMIN0-PIPERIDIN-1-YL]-XANTHINE FOR THE TREATMENT OF A METABOLIC DISORDER OF A PREDOMINANTLY CARNIVOROUS NON-HUMAN ANIMAL BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 2011-09-29 WO claimed
EP-2368552-A1 1-[(3-cyano-pyridin-2-yl)methyl]-3-methyl-7-(2-butyn-1-yl)-8-[3-(r)-amino-piperidin-1-yl]-xanthine for the treatment of a metabolic disorder of a predominantly carnivorous non-human animal Boehringer Ingelheim Vetmedica GmbH (DE) 2011-09-28 EP claimed
US-20070027168-A1 8-(3-AMINO-PIPERIDIN-1-YL)-XANTHINES, THEIR PREPARATION, AND THEIR USE AS PHARMACEUTICALS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-01 US claimed
EP-3318247-A1 TASTE MASKED PHARMACEUTICAL COMPOSITION Boehringer Ingelheim Vetmedica GmbH (DE) 2018-05-09 EP disclosed
EP-2741736-B1 TASTE MASKED PHARMACEUTICAL COMPOSITION BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 2017-11-22 EP disclosed
US-20110237532-A1 1-[(3-CYANO-PYRIDIN-2-YL)METHYL]-3-METHYL-7-(2-BUTYN-1-YL)-8-[3-(R)-AMINO-PIPERIDIN-1-YL]-XANTHINE FOR THE TREATMENT OF A METABOLIC DISORDER OF A PREDOMINANTLY CARNIVOROUS NON-HUMAN ANIMAL BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 2011-09-29 US disclosed
EP-2368552-A1 1-[(3-cyano-pyridin-2-yl)methyl]-3-methyl-7-(2-butyn-1-yl)-8-[3-(r)-amino-piperidin-1-yl]-xanthine for the treatment of a metabolic disorder of a predominantly carnivorous non-human animal Boehringer Ingelheim Vetmedica GmbH (DE) 2011-09-28 EP disclosed
US-20070027168-A1 8-(3-AMINO-PIPERIDIN-1-YL)-XANTHINES, THEIR PREPARATION, AND THEIR USE AS PHARMACEUTICALS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-01 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-20110237532-A1 1-[(3-CYANO-PYRIDIN-2-YL)METHYL]-3-METHYL-7-(2-BUTYN-1-YL)-8-[3-(R)-AMINO-PIPERIDIN-1-YL]-XANTHINE FOR THE TREATMENT OF A METABOLIC DISORDER OF A PREDOMINANTLY CARNIVOROUS NON-HUMAN ANIMAL PDXK, ABAT, GPR119 DPP4 21/4885CHRM1 371/4885
US-20160346288-A1 1-[(3-CYANO-PYRIDIN-2-YL)METHYL]-3-METHYL-7-(2-BUTYN-1-YL)-8-[3-(R)-AMINO-PIPERIDIN-1-YL]-XANTHINE FOR THE TREATMENT OF A METABOLIC DISORDER OF A PREDOMINANTLY CARNIVOROUS NON-HUMAN ANIMAL GOT2, ABAT, SLC7A1 DPP4 44/4885CHRM1 1001/4885
US-20070027168-A1 8-(3-AMINO-PIPERIDIN-1-YL)-XANTHINES, THEIR PREPARATION, AND THEIR USE AS PHARMACEUTICALS PDE8B, PDE8A, XDH DPP4 148/4885CHRM1 734/4885
US-20130084332-A1 TASTE MASKED PHARMACEUTICAL COMPOSITION TAS2R50, TAS2R40, TAS2R42 DPP4 1808/4885CHRM1 292/4885
US-20140227351-A1 TASTE MASKED PHARMACEUTICAL COMPOSITION TAS2R50, TAS2R40, TAS2R30 DPP4 1555/4885CHRM1 294/4885
US-20140228287-A1 1-[(3-CYANO-PYRIDIN-2-YL)METHYL]-3-METHYL-7-(2-BUTYN-1-YL)-8-[3-(R)-AMINO-PIPERIDIN-1-YL]-AXANTHINE FOR THE TREATMENT OF A METABOLIC DISORDER OF A PREDOMINANTLY CARNIVOROUS NON-HUMAN ANIMAL AADAT, ABAT, SLC7A1 DPP4 88/4885CHRM1 415/4885

“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.