Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3418559

Cl.O=C(O)[C@@H]1C[C@@H](C2CCCCC2)CN1

nearest known ligand 0.49

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 1/20 0.49
GRIN2D known ✓ O15399 1/20 0.40
GRIN3B known ✓ O60391 1/20 0.40
GRIN1 known ✓ Q05586 1/20 0.40
GRIN2A known ✓ Q12879 1/20 0.40
GRIN2B known ✓ Q13224 1/20 0.40
GRIN2C known ✓ Q14957 1/20 0.40
GRIN3A known ✓ Q8TCU5 1/20 0.40
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
ALOX15 P16050 1/20 0.48
CYP2C19 P33261 1/20 0.48
SLC1A3 P43003 1/20 0.48
SLC1A2 P43004 1/20 0.48
SLC1A1 P43005 1/20 0.48
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GRIK1 P39086 6/20 0.43

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 SCHEMBL18103704 1.00 DPP4 (0.49) DPP4CYP1A2CYP2D6ALOX15CYP2C19
Hydrochloric Acid SCHEMBL3418556 1.00 DPP4 (0.49) DPP4CYP1A2CYP2D6ALOX15CYP2C19
Hydrochloric Acid SCHEMBL7383848 1.00 DPP4 (0.49) DPP4CYP1A2CYP2D6ALOX15CYP2C19
SCHEMBL7873502 0.98 DPP4 (0.50) DPP4CYP1A2CYP2D6ALOX15CYP2C19
SCHEMBL7876596 0.98 DPP4 (0.50) DPP4CYP1A2CYP2D6ALOX15CYP2C19
Hydrochloric Acid SCHEMBL25365192 0.98 CYP1A2 (0.50) DPP4CYP1A2CYP2D6ALOX15CYP2C19
SCHEMBL29035113 0.98 DPP4 (0.50) DPP4CYP1A2CYP2D6ALOX15CYP2C19
SCHEMBL7876588 0.98 DPP4 (0.50) DPP4CYP1A2CYP2D6ALOX15CYP2C19
SCHEMBL2238814 0.98 DPP4 (0.50) DPP4CYP1A2CYP2D6ALOX15CYP2C19
SCHEMBL197230 0.98 DPP4 (0.50) DPP4CYP1A2CYP2D6ALOX15CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9969770-B2 Proline compounds as Granzyme B inhibitors VIDA THERAPEUTICS INC. (CA) 2018-05-15 US disclosed
US-9849112-B2 Pyrrole compounds as Granzyme B inhibitors VIDA THERAPEUTICS INC. (CA) 2017-12-26 US disclosed
US-20170015705-A1 PYRROLE COMPOUNDS AS GRANZYME B INHIBITORS VIDA THERAPEUTICS INC. (CA) 2017-01-19 US disclosed
US-20170015706-A1 PROLINE COMPOUNDS AS GRANZYME B INHIBITORS VIDA THERAPEUTICS INC. (CA) 2017-01-19 US disclosed
US-9458193-B1 Proline compounds as Granzyme B inhibitors VIDA THERAPEUTICS INC. (CA) 2016-10-04 US disclosed
US-9458138-B1 Pyrrole compounds as granzyme B inhibitors viDATherapeutics Inc. (CA) 2016-10-04 US disclosed
US-20120142939-A1 PROCESS FOR THE PREPARATION OF FOSINOPRIL AND INTERMEDIATES THEREOF DIPHARMA FRANCIS S.R.L. (IT) 2012-06-07 US disclosed
EP-2460808-A1 Process for the preparation of fosinopril and intermediates thereof Dipharma Francis S.r.l. (IT) 2012-06-06 EP disclosed
EP-2264039-A1 Process for the preparation of fosinopril and intermediates thereof Dipharma Francis S.r.l. (IT) 2010-12-22 EP disclosed
US-20100297711-A1 PROCESS FOR THE SYNTHESIS OF FOSINOPRIL AND INTERMEDIATES THEREOF DIPHARMA FRANCIS S.R.L. (IT) 2010-11-25 US disclosed
CN-101486672-A Method for synthesizing trans-4-cyclohexyl-L-proline hydrochloride JIANGDU XIHUA CHEMICAL CO LTD (CN) 2009-07-22 CN disclosed
CN-101486672-A Method for synthesizing trans-4-cyclohexyl-L-proline hydrochloride JIANGDU XIHUA CHEMICAL CO LTD (CN) 2009-07-22 CN disclosed
US-4851514-A ANGIOTENSIN CONVERTING ENZYME INHIBITOR, REACTING CERIUM TRICHLORIDE WITH PHENYLLITHIUM TO PRODUCE TRIPHENYL CERIUM E. R. SQUIBB & SONS, INC. (US) 1989-07-25 US disclosed
US-4734508-A GRIGNARD REACTION WITH TRIPHENYLCERIUM E. R. SQUIBB & SONS, INC. (US) 1988-03-29 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 (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-20120142939-A1 PROCESS FOR THE PREPARATION OF FOSINOPRIL AND INTERMEDIATES THEREOF FOS, FOSB, NPPA DPP4 281/4885GRIN2D 2109/4885GRIN3B 1364/4885
US-20170015705-A1 PYRROLE COMPOUNDS AS GRANZYME B INHIBITORS GZMB, CTSB, DNASE1L3 DPP4 1058/4885GRIN2D 3377/4885GRIN3B 1023/4885
US-20170015706-A1 PROLINE COMPOUNDS AS GRANZYME B INHIBITORS GZMB, CTSB, RNPEP DPP4 319/4885GRIN2D 3294/4885GRIN3B 875/4885

“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.