SCHEMBL4426893

SCHEMBL4426893

COC(=O)[CH]CC1=CCN(C)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
QDPR P09417 3/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
THRB P10828 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
BLM P54132 1/20 0.33
MCOLN3 Q8TDD5 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
SCHEMBL8730552 0.75 QDPR (0.37) QDPRALDH1A1KMT2A
SCHEMBL4426898 0.74 HRH3 (0.38) QDPRALDH1A1KMT2ALMNACHRM2
Maleic Acid SCHEMBL9129197 0.73 CYP3A4 (0.37) QDPRALDH1A1KMT2ACHRM2CHRM4
Fumaric Acid SCHEMBL9129206 0.73 CYP3A4 (0.37) QDPRALDH1A1KMT2ACHRM2CHRM4
SCHEMBL8730559 0.72 QDPR (0.41) QDPR
SCHEMBL9129342 0.71 QDPR (0.43) QDPRALDH1A1KMT2A
SCHEMBL9568968 0.70 QDPR (0.40) QDPR
SCHEMBL9103505 0.70 QDPR (0.40) QDPR
SCHEMBL14340658 0.70 QDPR (0.37) QDPR
SCHEMBL14340657 0.69 QDPR (0.39) QDPR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572678-A4 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS ELAN PHARM INC (US) 2008-05-07 EP claimed
US-7183281-B2 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2007-02-27 US claimed
US-7074783-B2 Sulfonylbenzodiazepinone acetamides as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2006-07-11 US claimed
EP-1572678-A2 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS Elan Pharmaceuticals, Inc. (US) 2005-09-14 EP claimed
EP-1549622-A1 SULFONYLBENZODIAZEPINONE ACETAMIDES AS BRADYKININ ANTAGONISTS Elian Pharmaceuticals Inc. (US) 2005-07-06 EP claimed
EP-1501807-A1 SULFONYLQUINOXALONE ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ ANTAGONISTS Elan Pharmaceuticals, Inc. (US) 2005-02-02 EP claimed
US-20040147520-A1 Sulfonylquinoxalone acetamide derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-29 US claimed
US-20040138208-A1 Sulfonylbenzodiazepinone acetamides as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-15 US claimed
WO-2004056319-A2 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS ELAN PHARMACEUTICALS INC. (US) 2004-07-08 WO claimed
WO-2004033436-A1 SULFONYLBENZODIAZEPINONE ACETAMIDES AS BRADYKININ ANTAGONISTS ELAN PHARMACEUTICALS INC (US) 2004-04-22 WO claimed
WO-2003093245-A1 SULFONYLQUINOXALONE ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ ANTAGONISTS ELAN PHARMACEUTICALS, INC. (US) 2003-11-13 WO claimed
US-7635775-B2 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2009-12-22 US disclosed
EP-1572678-A4 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS ELAN PHARM INC (US) 2008-05-07 EP disclosed
US-20070161633-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carboxylic acid (1-aminocarbonyl)eth-1-yl) amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. (US) 2007-07-12 US disclosed
US-7183281-B2 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2007-02-27 US disclosed
US-20050038099-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. 2005-02-17 US disclosed
WO-2004098590-A1 4-BROMO-5- (2-CHLORO-BENZOYLAMINO)-1H-PYRAZOLE-3-CARBOXYLIC ACID (1-(AMINOCARBONYL) ETH-1-YL) AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARMACEUTICALS, INC. (US) 2004-11-18 WO disclosed
US-20040147520-A1 Sulfonylquinoxalone acetamide derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-29 US disclosed
US-20040138208-A1 Sulfonylbenzodiazepinone acetamides as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-15 US disclosed
WO-2004056319-A2 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS ELAN PHARMACEUTICALS INC. (US) 2004-07-08 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 (4 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-20050038099-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists BDKRB1, BDKRB2, BRS3 QDPR 471/4885ALDH1A1 3054/4885KMT2A 3940/4885
US-20070161633-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carboxylic acid (1-aminocarbonyl)eth-1-yl) amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases BDKRB1, BDKRB2, HRH2 QDPR 766/4885ALDH1A1 1736/4885KMT2A 2943/4885
US-20040147520-A1 Sulfonylquinoxalone acetamide derivatives and related compounds as bradykinin antagonists BDKRB2, BDKRB1, PDXK QDPR 145/4885ALDH1A1 2366/4885KMT2A 2568/4885
US-20040138208-A1 Sulfonylbenzodiazepinone acetamides as bradykinin antagonists BDKRB1, BDKRB2, HRH2 QDPR 300/4885ALDH1A1 2559/4885KMT2A 2513/4885

“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.