Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3662911

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

nearest known ligand 0.41

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 18)

geneUniProtsupporting neighboursconfidence
DPP4 known ✓ P27487 4/20 0.36
KDM4E B2RXH2 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
DPP8 Q6V1X1 4/20 0.36
DPP9 Q86TI2 4/20 0.36
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
SMYD3 Q9H7B4 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.33
FUCA1 P04066 1/20 0.33
PPM1B O75688 1/20 0.33
PTPN1 P18031 1/20 0.33

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 SCHEMBL2705454 1.00 KDM4E (0.38) KDM4ECYP1A2CYP2D6CYP2C9MAPK1
Hydrochloric Acid SCHEMBL7306465 1.00 KDM4E (0.38) KDM4ECYP1A2CYP2D6CYP2C9MAPK1
Hydrochloric Acid SCHEMBL132277 1.00 KDM4E (0.38) KDM4ECYP1A2CYP2D6CYP2C9MAPK1
Hydrochloric Acid SCHEMBL7307615 1.00 KDM4E (0.38) KDM4ECYP1A2CYP2D6CYP2C9MAPK1
Hydrochloric Acid SCHEMBL7312757 1.00 KDM4E (0.38) KDM4ECYP1A2CYP2D6CYP2C9MAPK1
SCHEMBL2389792 0.98 DPP4 (0.37) KDM4ECYP1A2CYP2D6CYP2C9MAPK1
SCHEMBL9684605 0.98 DPP4 (0.37) KDM4ECYP1A2CYP2D6CYP2C9MAPK1
SCHEMBL3316703 0.98 DPP4 (0.37) KDM4ECYP1A2CYP2D6CYP2C9MAPK1
SCHEMBL1567974 0.98 DPP4 (0.37) KDM4ECYP1A2CYP2D6CYP2C9MAPK1
SCHEMBL4892915 0.98 DPP4 (0.37) KDM4ECYP1A2CYP2D6CYP2C9MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9078954-B2 Multifunctional filler granule Pobi Concept Oy (FI) 2015-07-14 US disclosed
EP-2634207-B1 A multifunctional filler granule Pobi Concept Oy (FI) 2014-04-30 EP disclosed
US-20130230563-A1 Multifunctional Filler Granule Pobi Concept Oy (FI) 2013-09-05 US disclosed
EP-2634207-A1 A multifunctional filler granule Pobi Concept Oy (FI) 2013-09-04 EP disclosed
EP-2240521-A1 POLYMER ORGANOCATALYST AND PREPARATION PROCESS Universitetet I Oslo (NO) 2010-10-20 EP disclosed
WO-2009087177-A1 POLYMER ORGANOCATALYST AND PREPARATION PROCESS UNIVERSITETET I OSLO (NO) 2009-07-16 WO disclosed
US-20090118353-A1 Medicinal composition KITAJIMA AKIHIKO 2009-05-07 US disclosed
US-7485665-B2 Medicinal composition NAGASE CHEMTEX CORPORATION (JP) 2009-02-03 US disclosed
US-20060223761-A1 Methods and compounds for inhibiting beta-amyloid peptide release and/or its synthesis ELAN PHARMACEUTICALS, INC. (US) 2006-10-05 US disclosed
US-20050239861-A1 Medicinal composition NAGASE CHEMTEX CORPORATION (JP) 2005-10-27 US disclosed
WO-1999006436-A1 BENZYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 WO disclosed
WO-1998022494-A9 METHODS AND COMPOUNDS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR SYNTHESIS 1998-08-20 WO disclosed
WO-1998022494-A2 METHODS AND COMPOUNDS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1998-05-28 WO disclosed
EP-0481756-B1 Benzamide derivatives TEIKOKU CHEM IND CO LTD (JP) 1997-07-09 EP disclosed
US-5405847-A Antiallergic, antiasthmatic, anxiolytic, hypotensive agents ASTA MEDICA AKTIENGESELLSCHAFT (DE) 1995-04-11 US disclosed
CN-1088928-A New 4,5-dihydro-4-oxo-pyrrolo-[1,2-α] quinazolinone ASTA MEDICA AG (DE) 1994-07-06 CN disclosed
US-5143935-A Gastrointestinal disorders TEIKOKU CHEMICAL INDUSTRY CO., LTD. (JP) 1992-09-01 US disclosed
EP-0481756-A2 Benzamide derivatives TEIKOKU CHEMICAL INDUSTRY CO., LTD. (JP) 1992-04-22 EP disclosed
US-4684658-A Anti-thrombotic ortho-condensed pyrrole derivatives, compositions, and method of use therefor RHONE-POULENC SANTE (FR) 1987-08-04 US disclosed
US-4555508-A Antihypertensive spiro-cyclic compounds USV PHARMACEUTICAL CORP. (US) 1985-11-26 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-20050239861-A1 Medicinal composition HTR4, HTR2C, HTR1A DPP4 573/4885KDM4E 2006/4885CYP1A2 621/4885
US-20060223761-A1 Methods and compounds for inhibiting beta-amyloid peptide release and/or its synthesis APP, BACE1, IAPP DPP4 231/4885KDM4E 4713/4885CYP1A2 4278/4885
US-20090118353-A1 Medicinal composition HTR4, FABP2, SLC10A2 DPP4 491/4885KDM4E 2503/4885CYP1A2 850/4885

“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.