Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3602584

CC(C)(C)[C@H](N)C(=O)N1CCC[C@H]1C#N.Cl

nearest known ligand 0.97

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 5)

geneUniProtsupporting neighboursconfidence
DPP4 known ✓ P27487 16/20 0.97
DPP8 Q6V1X1 6/20 0.97
DPP9 Q86TI2 4/20 0.97
DPP7 Q9UHL4 5/20 0.59
FAP Q12884 1/20 0.57

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 SCHEMBL5013082 1.00 DPP4 (0.97) DPP4DPP8DPP9DPP7FAP
SCHEMBL5612545 0.98 DPP4 (1.00) DPP4DPP8DPP9DPP7FAP
SCHEMBL369343 0.98 DPP4 (1.00) DPP4DPP8DPP9DPP7FAP
SCHEMBL4456750 0.98 DPP4 (1.00) DPP4DPP8DPP9DPP7FAP
SCHEMBL23082607 0.87 DPP4 (0.79) DPP4DPP8DPP9DPP7
Hydrochloric Acid SCHEMBL18281110 0.86 DPP4 (0.73) DPP4DPP8DPP9DPP7
Hydrochloric Acid SCHEMBL5068240 0.86 DPP4 (0.73) DPP4DPP8DPP9DPP7
SCHEMBL13525327 0.85 DPP4 (0.75) DPP4DPP8DPP9DPP7
Hydrochloric Acid SCHEMBL15635252 0.83 DPP4 (0.97) DPP4DPP8DPP9DPP7FAP
Hydrochloric Acid SCHEMBL15635251 0.83 DPP4 (0.97) DPP4DPP8DPP9DPP7FAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183280-B2 FAP inhibitors VANTIA LIMITED (GB) 2012-05-22 US disclosed
US-20100081701-A1 FAP inhibitors VANTIA LIMITED (GB) 2010-04-01 US disclosed
EP-1919864-A2 FAP INHIBITORS Ferring B.V. (NL) 2008-05-14 EP disclosed
WO-2007085895-A2 FAP INHIBITORS FERRING B.V. (US) 2007-08-02 WO disclosed
EP-1760076-A1 FAP Inhibitors FERRING B.V. (NL) 2007-03-07 EP disclosed
US-7169806-B2 Antidiabetic agents FERRING BV (NL) 2007-01-30 US disclosed
US-20050203031-A1 Novel antidiabetic agents FERRING BV 2005-09-15 US disclosed
US-6911467-B2 Antidiabetic agents FERRING BV (NL) 2005-06-28 US disclosed
US-20040209891-A1 Treatment of type 2 diabetes with inhibitors of dipeptidyl peptidase IV FERRING BV (NL) 2004-10-21 US disclosed
EP-1351932-A2 N-SUBSTITUTED 2-CYANOPYRROLIDINES AND THEIR USE AS ANTIDIABETIC AGENTS Ferring BV (NL) 2003-10-15 EP disclosed
US-20030096857-A1 Novel antidiabetic agents FERRING BV (NL) 2003-05-22 US disclosed
WO-2001040180-A2 N-SUBSTITUTED 2-CYANOPYRROLIDINES AND THEIR USE AS ANTIDIABETIC AGENTS FERRING BV (NL) 2001-06-07 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-20040209891-A1 Treatment of type 2 diabetes with inhibitors of dipeptidyl peptidase IV DPP4, DPP7, DPP3 DPP4 1/4885DPP8 5/4885DPP9 4/4885
US-20030096857-A1 Novel antidiabetic agents DPP4, SLC5A2, SLC2A4 DPP4 1/4885DPP8 44/4885DPP9 62/4885
US-20100081701-A1 FAP inhibitors FAP, APC, SERPINB1 DPP4 256/4885DPP8 227/4885DPP9 59/4885
US-20050203031-A1 Novel antidiabetic agents DPP4, SLC2A4, GPR119 DPP4 1/4885DPP8 155/4885DPP9 123/4885

“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.