SCHEMBL873731

SCHEMBL873731

C=CCC(CN)CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.50
CACNB3 P54284 1/20 0.50
CACNA1C Q13936 1/20 0.50
PGR P06401 1/20 0.50
ADRA1A P35348 1/20 0.50
HTR2B P41595 1/20 0.50
CACNA2D2 Q9NY47 1/20 0.50
GABRR1 P24046 2/20 0.43
LMNA P02545 1/20 0.43
GRIK1 P39086 2/20 0.38
GRIK2 Q13002 2/20 0.38
ABCC4 O15439 1/20 0.34
MAPT P10636 1/20 0.34
GABBR2 O75899 1/20 0.34
GABBR1 Q9UBS5 1/20 0.34
CYP2C19 P33261 2/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 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
SCHEMBL6430077 0.86 ABCC4 (0.39) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL13347365 0.86 ABCC4 (0.39) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL3112944 0.81 CACNA2D1 (0.59) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL3116772 0.81 CACNA2D1 (0.59) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL1913688 0.81 CACNA2D1 (0.59) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL16429594 0.80 ABCC4 (0.35) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL563220 0.78 ABCC4 (0.34) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL24653140 0.78 CACNA2D1 (0.65) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL7907883 0.78
Hydrochloric Acid SCHEMBL563740 0.77 GRIK1 (0.33) CACNA2D1CACNB3CACNA1CPGRADRA1A

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
WO-1992009560-A1 GABA AND L-GLUTAMIC ACID ANALOGS FOR ANTISEIZURE TREATMENT NORTHWESTERN UNIVERSITY (US) 1992-06-11 WO claimed
US-9925204-B2 Anti-inflammatory compounds in combination with hydrogen for the treatment of inflammation KAWAI TOSHIHISA (US) 2018-03-27 US disclosed
US-9545415-B2 Anti-inflammatory compounds in combination with hydrogen for the treatment of inflammation SKYVIEW ENTPR LTD (US) 2017-01-17 US disclosed
US-20160317575-A1 ANTI-INFLAMMATORY COMPOUNDS IN COMBINATION WITH HYDROGEN FOR THE TREATMENT OF INFLAMMATION KAWAI TOSHIHISA (US) 2016-11-03 US disclosed
US-20150140090-A1 ANTI-INFLAMMATORY COMPOUNDS IN COMBINATION WITH HYDROGEN FOR THE TREATMENT OF INFLAMMATION SKYVIEW ENTPR LTD (US) 2015-05-21 US disclosed
EP-0934061-B3 ISOBUTYLGABA AND ITS DERIVATIVES FOR THE TREATMENT OF PAIN WARNER LAMBERT CO (US) 2015-01-21 EP disclosed
CN-102459169-B Redox drug derivatives REDX PHARMA LTD 2014-12-31 CN disclosed
US-8877945-B2 Redox drug derivatives REDX PHARMA LIMITED (GB) 2014-11-04 US disclosed
EP-2429991-B1 REDOX DRUG DERIVATIVES REDX PHARMA LTD (GB) 2014-09-10 EP disclosed
WO-2013103826-A1 ANTI-INFLAMMATORY COMPOUNDS IN COMBINATION WITH HYDROGEN FOR THE TREATMENT OF INFLAMMATION SKYVIEW ENTERPRISE LTD. (US) 2013-07-11 WO disclosed
WO-1998003167-A1 ISOBUTYLGABA AND ITS DERIVATIVES FOR THE TREATMENT OF PAIN WARNER-LAMBERT COMPANY (US) 1998-01-29 WO disclosed
US-5710304-A 5-METHYL-3((((4-METHYLPHENYL)SULFONYL)OXY)-METHYL)-HEXANOIC ACID ESTER CHEMICAL INTERMEDIATES NORTHWESTERN UNIVERSITY (US) 1998-01-20 US disclosed
US-5684189-A HYDROLYZING AN AZIDE TO FORM AN INTERMEDIATE AZIDE, EXTRACTING THE INTERMEDIATE AZIDE INTO AN AQUEOUS BASE AND REDUCING THE AZIDE TO AN AMINE NORTHWESTERN UNIVERSITY (US) 1997-11-04 US disclosed
EP-0641330-A4 GABA AND L-GLUTAMIC ACID ANALOGS FOR ANTISEIZURE TREATMENT. UNIV NORTHWESTERN (US) 1997-05-28 EP disclosed
US-5608090-A ANTICONVULSANTS NORTHWESTERN UNIVERSITY (US) 1997-03-04 US disclosed
US-5599973-A REACTING ACID CHLORIDE WITH SUBSTITUTED 2-OXAZOLIDINONE AND BUTYLLITHIUM, THEN BENZYL ALPHA-BROMOACETATE, HYDROGEN PEROXIDE, LITHIUM OXIDE, SODIUM METABISULFITE, BORANE DIMETHYL SULFIDE, THEN TOSYLATION, AZIDE FORMATION, AMINATION NORTHWESTERN UNIVERSITY (US) 1997-02-04 US disclosed
US-5563175-A GAMMAAMINOBUTYRIC ACID DERIVATIVE; NERVOUS SYSTEM DISORDERS NORTHWESTERN UNIVERSITY (US) 1996-10-08 US disclosed
EP-0641330-A1 GABA AND L-GLUTAMIC ACID ANALOGS FOR ANTISEIZURE TREATMENT NORTHWESTERN UNIVERSITY (US) 1995-03-08 EP disclosed
WO-1993023383-A1 GABA AND L-GLUTAMIC ACID ANALOGS FOR ANTISEIZURE TREATMENT NORTHWESTERN UNIVERSITY (US) 1993-11-25 WO disclosed
WO-1992009560-A1 GABA AND L-GLUTAMIC ACID ANALOGS FOR ANTISEIZURE TREATMENT NORTHWESTERN UNIVERSITY (US) 1992-06-11 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 (2 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-20160317575-A1 ANTI-INFLAMMATORY COMPOUNDS IN COMBINATION WITH HYDROGEN FOR THE TREATMENT OF INFLAMMATION PTGS1, HVCN1, HRH2 CACNA2D1 1262/4885CACNB3 581/4885CACNA1C 331/4885
US-20150140090-A1 ANTI-INFLAMMATORY COMPOUNDS IN COMBINATION WITH HYDROGEN FOR THE TREATMENT OF INFLAMMATION PTGS1, HVCN1, HRH2 CACNA2D1 1262/4885CACNB3 581/4885CACNA1C 331/4885

“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.