Hydrochloric Acid

Hydrochloric Acid

SCHEMBL563740

C=CCC(CI)CC(=O)O.Cl

nearest known ligand 0.33

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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 16)

geneUniProtsupporting neighboursconfidence
CACNA2D1 known ✓ P54289 2/20 0.31
CACNB3 known ✓ P54284 1/20 0.31
CACNA1C known ✓ Q13936 1/20 0.31
ADRA1A known ✓ P35348 1/20 0.31
HTR2B known ✓ P41595 1/20 0.31
CACNA2D2 known ✓ Q9NY47 1/20 0.31
GRIK1 P39086 2/20 0.33
GRIK2 Q13002 2/20 0.33
ABCC4 O15439 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C19 P33261 1/20 0.32
CPA1 P15085 1/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
PGR P06401 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL563220 0.98 ABCC4 (0.34) GRIK1GRIK2ABCC4MAPTCYP2C19
SCHEMBL13347365 0.84 ABCC4 (0.39) GRIK1GRIK2ABCC4MAPTCYP2C19
SCHEMBL6430077 0.84 ABCC4 (0.39) GRIK1GRIK2ABCC4MAPTCYP2C19
SCHEMBL563739 0.79
SCHEMBL10239547 0.79 ALDH1A1 (0.36) TDP1
SCHEMBL16429594 0.78 ABCC4 (0.35) GRIK1GRIK2ABCC4MAPTCYP2C19
SCHEMBL873731 0.77 CACNA2D1 (0.50) GRIK1GRIK2ABCC4MAPTCYP2C19
SCHEMBL2579093 0.77
SCHEMBL11147230 0.75 TSHR (0.45) GRIK1GRIK2ABCC4MAPTCYP2C19
SCHEMBL29008696 0.73 CACNA2D1 (0.57) GRIK1GRIK2ABCC4MAPTCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492416-B2 2-oxo-1-pyrrolidine derivatives, processes for preparing them and their uses UCB PHARMA, S.A. (BE) 2013-07-23 US disclosed
US-20120035239-A1 2-OXO-1-PYRROLIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES UCB Biopharma SRL (BE) 2012-02-09 US disclosed
US-8034958-B2 2-oxo-1-pyrrolidine derivatives, processes for preparing them and their uses UOB Pharma, S.A. (BE) 2011-10-11 US disclosed
US-20100222576-A1 2-Oxo-1-pyrrolidine derivatives, processes for preparing them and their uses UCB BIOPHARMA SPRL (BE) 2010-09-02 US disclosed
US-7692028-B2 2-oxo-1-pyrrolidine derivatives, processes for preparing them and their uses UCB PHARMA, S.A. (BE) 2010-04-06 US disclosed
US-20080097109-A1 2-oxo-1-pyrrolidine derivatives, processes for preparing them and their uses UCB BIOPHARMA SPRL (BE) 2008-04-24 US disclosed
US-7358276-B2 for treating neurological disorders such as epilepsy, neuropathic pain, bipolar disorder or migraine; 2-(2-oxo-4-propyl-1-pyrrolidinyl)butanamide; neuroprotective agent UCB, S.A. (BE) 2008-04-15 US disclosed
EP-1577296-A1 2-oxo-1-pyrrolidine derivatives, processes for preparing them and their use UCB S.A. (BE) 2005-09-21 EP disclosed
EP-1265862-B1 2-OXO-1-PYRROLIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES UCB SA (BE) 2005-09-21 EP disclosed
US-20050171188-A1 2-Oxo-1-pyrrolidine derivatives, processes for preparing them and their uses UCB BIOPHARMA SPRL (BE) 2005-08-04 US disclosed
US-6911461-B2 For treating epilepsy, epileptogenesis, seizure disorders, convulsions, bipolar disorders, mania, depression, anxiety, migraine, neuralgia, chronic pain, neuropathic pain, cerebral ischemia, cardiac arrhythmia, myotonia, cocaine abuse UCB, S.A. (BE) 2005-06-28 US disclosed
US-6806287-B2 NEUROLOGICAL DISORDERS; SUCH AS 2-(4-(2,2-DIFLUOROVINYL)-2-OXOPYRROLIDINYL)BUTANAMIDE UCB, S.A. (BE) 2004-10-19 US disclosed
EP-1452524-A1 \"2-oxo-1-pyrrolidine derivative and its pharmaceutical uses\ UCB, S.A. (BE) 2004-09-01 EP disclosed
US-6784197-B2 SUCH AS (2S)-2-((4S)-4-(2,2-DIFLUOROVINYL)-2-OXOPYRROLIDINYL) BUTANAMIDE; ANTIEPILEPTIC AGENTS; ANTICONVULSANTS UCB S.A. (BE) 2004-08-31 US disclosed
EP-1447399-A1 \"2-oxo-1-pyrrolidine derivative and its pharmaceutical uses\ UCB, S.A. (BE) 2004-08-18 EP disclosed
US-20040116507-A1 2-oxo-1-pyrrolidine derivatives, processes for preparing them and their uses UCB Biopharma SRL (BE) 2004-06-17 US disclosed
US-20040087646-A1 2-Oxo-1-pyrrolidine derivatives, processes for preparing them and their uses UCB BIOPHARMA SPRL (BE) 2004-05-06 US disclosed
US-20030120080-A1 2-oxo-1-pyrrolidine derivatives, processes for preparing them and their uses UCB Biopharma SRL (BE) 2003-06-26 US disclosed
EP-1265862-A2 2-OXO-1-PYRROLIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES UCB, S.A. (BE) 2002-12-18 EP disclosed
WO-2001062726-A2 2-OXO-1-PYRROLIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES UCB, S.A. (BE) 2001-08-30 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 (6 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-20080097109-A1 2-oxo-1-pyrrolidine derivatives, processes for preparing them and their uses CYP1B1, OGDH, CYP1A2 CACNA2D1 151/4885CACNB3 1590/4885CACNA1C 270/4885
US-20100222576-A1 2-Oxo-1-pyrrolidine derivatives, processes for preparing them and their uses CYP1B1, OGDH, CYP1A2 CACNA2D1 151/4885CACNB3 1590/4885CACNA1C 270/4885
US-20050171188-A1 2-Oxo-1-pyrrolidine derivatives, processes for preparing them and their uses CYP1B1, OGDH, CYP1A2 CACNA2D1 151/4885CACNB3 1590/4885CACNA1C 270/4885
US-20120035239-A1 2-OXO-1-PYRROLIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES CYP1B1, OGDH, CYP1A2 CACNA2D1 151/4885CACNB3 1590/4885CACNA1C 270/4885
US-20030120080-A1 2-oxo-1-pyrrolidine derivatives, processes for preparing them and their uses CYP1B1, CYP1A2, OGDH CACNA2D1 157/4885CACNB3 1487/4885CACNA1C 280/4885
US-20040087646-A1 2-Oxo-1-pyrrolidine derivatives, processes for preparing them and their uses CYP1B1, CYP1A2, OGDH CACNA2D1 144/4885CACNB3 1499/4885CACNA1C 216/4885

“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.