SCHEMBL4425353

SCHEMBL4425353

O=C([CH]Cc1ccc(-c2ccccn2)cc1)N1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 1/20 0.49
CNR2 P34972 1/20 0.48
EPHX1 P07099 1/20 0.47
CYP2D6 P10635 1/20 0.47
EPHX2 P34913 1/20 0.47
DPP4 P27487 1/20 0.47
CHRNA7 P36544 1/20 0.46
ABL1 P00519 3/20 0.44
BCR P11274 3/20 0.44
TGFBR1 P36897 2/20 0.43
DAGLB Q8NCG7 1/20 0.43
DAGLA Q9Y4D2 1/20 0.43
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42
KDM2B Q8NHM5 1/20 0.42
HPGDS O60760 1/20 0.41
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
NAAA Q02083 1/20 0.40

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
SCHEMBL4420990 0.85 AVPR2 (0.44) SLC6A7ALDH1A1RAB9AHPGDNAAA
SCHEMBL4422938 0.79 NPC1 (0.53) ALDH1A1RAB9AHPGDNAAA
SCHEMBL4425355 0.78 NAAA (0.68) EPHX1CYP2D6EPHX2ALDH1A1RAB9A
SCHEMBL4323354 0.78 CNR2 (0.44) SLC6A7CNR2EPHX1CYP2D6EPHX2
SCHEMBL4766522 0.76 NAMPT (0.43) CNR2CYP2D6ALDH1A1RAB9ACYP2C9
SCHEMBL933590 0.74 CYP1A2 (0.47) SLC6A7CNR2CYP2D6DPP4ALDH1A1
SCHEMBL4424785 0.73 NISCH (0.49)
SCHEMBL4789732 0.72 TGFBR1 (0.61) CNR2CYP2D6TGFBR1ALDH1A1
SCHEMBL28175120 0.71 HRH3 (0.61) CNR2CYP2D6CHRNA7TGFBR1ALDH1A1
SCHEMBL27613086 0.70 CYP1A2 (0.44) SLC6A7CNR2CYP2D6DPP4RAB9A

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 22 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
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
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-20060293332-A1 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2006-12-28 US disclosed
US-7074783-B2 Sulfonylbenzodiazepinone acetamides as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2006-07-11 US disclosed
US-20050038099-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. 2005-02-17 US disclosed
EP-1501807-A1 SULFONYLQUINOXALONE ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ ANTAGONISTS Elan Pharmaceuticals, Inc. (US) 2005-02-02 EP 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
WO-2003093245-A1 SULFONYLQUINOXALONE ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ ANTAGONISTS ELAN PHARMACEUTICALS, INC. (US) 2003-11-13 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 (5 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-20060293332-A1 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists BDKRB2, BDKRB1, PDXK SLC6A7 1891/4885CNR2 216/4885EPHX1 738/4885
US-20050038099-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists BDKRB1, BDKRB2, BRS3 SLC6A7 2178/4885CNR2 187/4885EPHX1 1078/4885
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 SLC6A7 3591/4885CNR2 17/4885EPHX1 428/4885
US-20040147520-A1 Sulfonylquinoxalone acetamide derivatives and related compounds as bradykinin antagonists BDKRB2, BDKRB1, PDXK SLC6A7 1979/4885CNR2 159/4885EPHX1 560/4885
US-20040138208-A1 Sulfonylbenzodiazepinone acetamides as bradykinin antagonists BDKRB1, BDKRB2, HRH2 SLC6A7 2358/4885CNR2 55/4885EPHX1 734/4885

“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.