Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6228459

C[C@H](N)C(=O)N1CC(F)(F)C(F)(F)C1.Cl

nearest known ligand 0.51

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 10)

geneUniProtsupporting neighboursconfidence
DPP4 known ✓ P27487 13/20 0.51
ACE known ✓ P12821 1/20 0.31
ARG1 P05089 4/20 0.38
ARG2 P78540 2/20 0.38
DPP7 Q9UHL4 3/20 0.36
DPP8 Q6V1X1 7/20 0.34
DPP9 Q86TI2 7/20 0.34
FAP Q12884 2/20 0.33
PREP P48147 1/20 0.33
SMYD3 Q9H7B4 2/20 0.31

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 SCHEMBL6228463 1.00 DPP4 (0.51) DPP4ARG1ARG2DPP7DPP8
SCHEMBL5496844 0.98 DPP4 (0.53) DPP4ARG1ARG2DPP7DPP8
SCHEMBL5496849 0.98 DPP4 (0.53) DPP4ARG1ARG2DPP7DPP8
SCHEMBL14737113 0.87 DPP4 (0.55) DPP4ARG1ARG2DPP7DPP8
SCHEMBL14737115 0.87 DPP4 (0.55) DPP4ARG1ARG2DPP7DPP8
SCHEMBL26775895 0.87 DPP4 (0.55) DPP4ARG1ARG2DPP7DPP8
SCHEMBL26643818 0.85 DPP4 (0.44) DPP4ARG1ARG2DPP7DPP8
SCHEMBL26644130 0.85 DPP4 (0.44) DPP4ARG1ARG2DPP7DPP8
SCHEMBL26643821 0.85 DPP4 (0.44) DPP4ARG1ARG2DPP7DPP8
Hydrochloric Acid SCHEMBL6225052 0.84 DPP4 (0.49) DPP4ARG1DPP7DPP8DPP9

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
EP-1513808-A2 FLUORINATED CYCLIC AMIDES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS Pfizer Products Inc. (US) 2005-03-16 EP claimed
US-20040132713-A1 Fluorinated cyclic amides as dipeptidyl peptidase IV inhibitors PFIZER INC 2004-07-08 US claimed
US-6710040-B1 Fluorinated cyclic amides as dipeptidyl peptidase IV inhibitors PFIZER INC. 2004-03-23 US claimed
WO-2003101958-A2 FLOURINATED CYCLIC AMIDES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS PFIZER PRODUCTS INC. (US) 2003-12-11 WO claimed
EP-1513808-A2 FLUORINATED CYCLIC AMIDES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS Pfizer Products Inc. (US) 2005-03-16 EP disclosed
US-20040242898-A1 Synthesis of 3,3,4,4-tetrafluoropyrrolidine and novel dipeptidyl peptidase-IV inhibitor compounds PFIZER INC 2004-12-02 US disclosed
US-6812350-B2 ANTIDIABETIC AGENTS; METABOLISM DISEASES; HYPOTENSIVE AGENTS; CARDIOVASCULAR DISORDERS PFIZER INC. 2004-11-02 US disclosed
US-20040132713-A1 Fluorinated cyclic amides as dipeptidyl peptidase IV inhibitors PFIZER INC 2004-07-08 US disclosed
US-6710040-B1 Fluorinated cyclic amides as dipeptidyl peptidase IV inhibitors PFIZER INC. 2004-03-23 US disclosed
US-20040002609-A1 Synthesis of 3,3,4,4-tetrafluoropyrrolidine and novel dipeptidyl peptidase-IV inhibitor compounds PFIZER INC. 2004-01-01 US disclosed
WO-2003101449-A2 PROCESS FOR THE PREPARATION OF 3,3,4,4-TETRAFLUOROPYRROLIDINE AND DERIVATIVES THEREOF PFIZER PRODUCTS INC. (US) 2003-12-11 WO disclosed
WO-2003101958-A2 FLOURINATED CYCLIC AMIDES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS PFIZER PRODUCTS INC. (US) 2003-12-11 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 (3 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-20040002609-A1 Synthesis of 3,3,4,4-tetrafluoropyrrolidine and novel dipeptidyl peptidase-IV inhibitor compounds DPP4, DPP3, DPP7 DPP4 1/4885ACE 116/4885ARG1 887/4885
US-20040132713-A1 Fluorinated cyclic amides as dipeptidyl peptidase IV inhibitors DPP4, ALPI, DPP7 DPP4 1/4885ACE 238/4885ARG1 396/4885
US-20040242898-A1 Synthesis of 3,3,4,4-tetrafluoropyrrolidine and novel dipeptidyl peptidase-IV inhibitor compounds DPP4, DPP3, DPP7 DPP4 1/4885ACE 116/4885ARG1 887/4885

“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.