Hydrochloric Acid

Hydrochloric Acid

SCHEMBL299895

Cl.N#Cc1ccc(NCCNCC(=O)N2CCC[C@H]2C#N)nc1

nearest known ligand 0.98

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 3)

geneUniProtsupporting neighboursconfidence
DPP4 known ✓ P27487 18/20 0.98
DPP7 Q9UHL4 2/20 0.98
DPP8 Q6V1X1 1/20 0.98

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 SCHEMBL356225 1.00 DPP4 (0.98) DPP4DPP7DPP8
Hydrochloric Acid SCHEMBL356224 1.00 DPP4 (0.98) DPP4DPP7DPP8
SCHEMBL29416829 0.99 DPP4 (1.00) DPP4DPP7DPP8
SCHEMBL160102 0.99 DPP4 (1.00) DPP4DPP7DPP8
SCHEMBL220478 0.99 DPP4 (1.00) DPP4DPP7DPP8
Hydrochloric Acid SCHEMBL1069087 0.94 DPP4 (0.86) DPP4DPP7DPP8
Hydrochloric Acid SCHEMBL1069089 0.94 DPP4 (0.86) DPP4DPP7DPP8
SCHEMBL4593663 0.91 DPP4 (0.85) DPP4DPP7DPP8
SCHEMBL665644 0.91 DPP4 (0.85) DPP4DPP7DPP8
SCHEMBL8245189 0.91 DPP4 (0.85) DPP4DPP7DPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079469-A2 USE OF DIPEPTIDYL PEPTIDASE IV INHIBITORS FOR PREVENTING, DELAYING OR REDUCING THE OCCURANCE OF EDEMA Novartis AG (CH) 2009-07-22 EP claimed
WO-2008057337-A2 USE OF DIPEPTIDYL PEPTIDASE IV INHIBITORS FOR PREVENTING, DELAYING OR REDUCING THE OCCURANCE OF EDEMA NOVARTIS AG (CH) 2008-05-15 WO claimed
EP-1786401-B1 FAST RELEASE COMPOSITION INCLUDING MELT GRANULES OF A MOISTURE SENSITIVE DRUG AND PROCESS FOR MANUFACTURING THEREOF NOVARTIS AG (CH) 2017-08-16 EP disclosed
EP-3087975-A1 TREATMENT WITH VILDAGLIPTIN NOVARTIS AG (CH) 2016-11-02 EP disclosed
US-20120149639-A1 USE OF A DPP-IV INHIBITOR TO REDUCE HYPOGLYCEMIC EVENTS BALKAN BOERK (US) 2012-06-14 US disclosed
US-8143217-B2 Use of DPP-IV inhibitor to reduce hypoglycemic events NOVARTIS AG (CH) 2012-03-27 US disclosed
EP-2191824-B1 Modified release 1-[(3-hydroxy-adamant-1-ylamino)-acetyl]-pyrrolidine-2(s)-carbonitrile formulation NOVARTIS AG (CH) 2012-03-14 EP disclosed
US-20110301172-A1 COMBINATION OF DPP-IV INHIBITOR, PPAR ANTIDIABETIC AND METMORFORMIN BURKEY BRYAN (US) 2011-12-08 US disclosed
US-20110245317-A1 USE OF ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-10-06 US disclosed
US-7935723-B2 Metformin and a dipeptidyl peptidase IV inhibitor such as vildagliptin; improving glucose control NOVARTIS PHARMA AG (CH) 2011-05-03 US disclosed
US-20110086096-A1 MODIFIED RELEASE 1- [ (3-HYDROXY-ADAMANT-1-YLAMINO)-ACETYL] -PYRROLIDINE-2 (S) -CARBONITRILE FORMULATION KOWALSKI JAMES 2011-04-14 US disclosed
WO-2007006790-A2 COMBINATION OF A DPP-IV INHIBITOR AND A CANNABINOID CB1 RECEPTOR ANTAGONIST NOVARTIS AG (CH) 2007-01-18 WO disclosed
WO-2006135723-A2 MODIFIED RELEASE 1-[(3-HYDROXY-ADAMANT-1-YLAMINO)-ACETYL]-PYRROLIDINE-2(S)-CARBONITRILE FORMULATION NOVARTIS AG (CH) 2006-12-21 WO disclosed
EP-1732550-A2 DPP-IV INHIBITORS FOR TREATING NEURODEGENERATION AND COGNITIVE DISORDERS Novartis AG (CH) 2006-12-20 EP disclosed
WO-2006047248-A1 COMBINATION OF DPP-IV INHIBITOR, PPAR ANTIDIABETIC AND METFORMIN NOVARTIS AG (CH) 2006-05-04 WO disclosed
WO-2006041976-A1 COMBINATION OF ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-04-20 WO disclosed
WO-2006021455-A1 FAST RELEASE COMPOSITION INCLUDING MELT GRANULES OF A MOISTURE SENSITIVE DRUG AND PROCESS FOR MANUFACTURING THEREOF NOVARTIS AG (CH) 2006-03-02 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20110086096-A1 MODIFIED RELEASE 1- [ (3-HYDROXY-ADAMANT-1-YLAMINO)-ACETYL] -PYRROLIDINE-2 (S) -CARBONITRILE FORMULATION MAST1, CACNG1, CMA1 DPP4 267/4885DPP7 525/4885DPP8 1048/4885
US-20110301172-A1 COMBINATION OF DPP-IV INHIBITOR, PPAR ANTIDIABETIC AND METMORFORMIN PPARG, DPP4, DPP3 DPP4 2/4885DPP7 5/4885DPP8 7/4885
US-20120149639-A1 USE OF A DPP-IV INHIBITOR TO REDUCE HYPOGLYCEMIC EVENTS DPP4, DPP3, DPP7 DPP4 1/4885DPP7 3/4885DPP8 5/4885
US-20110245317-A1 USE OF ORGANIC COMPOUNDS DPP4, DPP8, DPP7 DPP4 1/4885DPP7 3/4885DPP8 2/4885

“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.