Hydrochloric Acid

Hydrochloric Acid

SCHEMBL354661

CCCCOc1c(CN)n(CC(C)(C)C)c(=O)c2ccc(OCC(N)=O)cc12.Cl

nearest known ligand 0.53

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
DPP4 known ✓ P27487 10/20 0.53
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
ADORA2A P29274 2/20 0.37
ADORA2B P29275 2/20 0.37
ADORA1 P30542 1/20 0.37
ALOX5AP P20292 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
LMNA P02545 2/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL5238915 0.99 DPP4 (0.52) DPP4HSD17B10ALDH1A1KDM4EHPGD
Hydrochloric Acid SCHEMBL5234491 0.92 DPP4 (0.47) DPP4ADORA2AADORA2BADORA1PSEN1
Hydrochloric Acid SCHEMBL5236314 0.91 DPP4 (0.44) DPP4ALDH1A1PSEN1PSEN2APH1B
Hydrochloric Acid SCHEMBL5235033 0.91 DPP4 (0.44) DPP4KDM4EMAPK1MEN1KMT2A
Hydrochloric Acid SCHEMBL5234616 0.89 DPP4 (0.43) DPP4HSD17B10ALDH1A1KDM4EHPGD
Hydrochloric Acid SCHEMBL5239297 0.89 DPP4 (0.43) DPP4HSD17B10ALDH1A1KDM4EHPGD
Hydrochloric Acid SCHEMBL5239042 0.87 DPP4 (0.69) DPP4
Hydrochloric Acid SCHEMBL5234677 0.87 DPP4 (0.46) DPP4HSD17B10ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL5238860 0.87 DPP4 (0.42) DPP4ALDH1A1KDM4EMAPK1MEN1
Hydrochloric Acid SCHEMBL5233326 0.86 DPP4 (0.41) DPP4KDM4ELMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3023095-B2 DIRECT COMPRESSION FORMULATION AND PROCESS NOVARTIS AG (CH) 2023-11-08 EP disclosed
EP-3738585-A1 DIRECT COMPRESSION FORMULATION AND PROCESS NOVARTIS AG (CH) 2020-11-18 EP disclosed
EP-3366283-A1 DIRECT COMPRESSION FORMULATION AND PROCESS Novartis AG (CH) 2018-08-29 EP disclosed
EP-3023095-B1 DIRECT COMPRESSION FORMULATION AND PROCESS NOVARTIS AG (CH) 2018-05-16 EP disclosed
EP-3023095-A1 DIRECT COMPRESSION FORMULATION AND PROCESS Novartis AG (CH) 2016-05-25 EP disclosed
EP-2839832-A2 Use of dipeptidyl peptidase IV inhibitors Novartis AG (CH) 2015-02-25 EP disclosed
US-20140287040-A1 Formulation NOVARTIS AG (CH) 2014-09-25 US disclosed
US-20140205663-A1 Direct Compression Formulation and Process NOVARTIS AG (CH) 2014-07-24 US disclosed
US-20130052239-A1 Formulation JOSHI YATINDRA (US) 2013-02-28 US disclosed
US-20120294939-A1 DIRECT COMPRESSION FORMULATION AND PROCESS KOWALSKI JAMES (US) 2012-11-22 US disclosed
WO-2006047248-A1 COMBINATION OF DPP-IV INHIBITOR, PPAR ANTIDIABETIC AND METFORMIN NOVARTIS AG (CH) 2006-05-04 WO disclosed
US-7034039-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-25 US disclosed
WO-2006041976-A1 COMBINATION OF ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-04-20 WO disclosed
WO-2006005613-A1 COMBINATION OF DPP-IV INHIBITORS AND COMPOUNDS MODULATING 5-HT3 AND/OR 5-HT4 RECEPTORS NOVARTIS AG (CH) 2006-01-19 WO disclosed
WO-2005117861-A1 USE OF ORGANIC COMPOUNDS NOVARTIS AG (CH) 2005-12-15 WO disclosed
WO-2005079795-A2 DPP-IV INHIBITORS FOR TREATING NEURODEGENERATION AND COGNITIVE DISORDERS NOVARTIS AG (CH) 2005-09-01 WO disclosed
WO-2005067976-A2 DIRECT COMPRESSION FORMULATION AND PROCESS NOVARTIS AG (CH) 2005-07-28 WO disclosed
WO-2005049022-A2 USE OF DIPEPTIDYL PEPTIDASE IV INHIBITORS NOVARTIS AG (CH) 2005-06-02 WO disclosed
WO-2005049088-A2 COMBINATION OF A DPP IV INHIBITOR AND AN ANTIOBESITY OR APPETITE REGULATING AGENT NOVARTIS AG (CH) 2005-06-02 WO disclosed
US-20040082607-A1 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-29 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 (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-20040082607-A1 Fused heterocyclic compounds DPP7, DPP4, METAP1 DPP4 2/4885HSD17B10 640/4885ALDH1A1 387/4885
US-20140205663-A1 Direct Compression Formulation and Process DPP4, DPP3, DPP7 DPP4 1/4885HSD17B10 2641/4885ALDH1A1 2221/4885
US-20140287040-A1 Formulation DPP4, DPP3, DPP7 DPP4 1/4885HSD17B10 1507/4885ALDH1A1 737/4885
US-20130052239-A1 Formulation DPP4, DPP3, DPP7 DPP4 1/4885HSD17B10 1507/4885ALDH1A1 737/4885
US-20120294939-A1 DIRECT COMPRESSION FORMULATION AND PROCESS DPP4, DPP3, DPP7 DPP4 1/4885HSD17B10 2641/4885ALDH1A1 2221/4885

“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.