SCHEMBL4422300

SCHEMBL4422300

CN1CC=C(C[CH]C(=O)N2CCCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
QDPR P09417 2/20 0.33
ALDH1A1 P00352 5/20 0.32
MEN1 O00255 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HPGD P15428 3/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL4426893 0.78 QDPR (0.34) QDPRALDH1A1KMT2A
SCHEMBL4422302 0.75 NPC1 (0.46) NPC1POLBL3MBTL1
SCHEMBL8730552 0.74 QDPR (0.37) QDPRALDH1A1NPC1RAB9AKMT2A
SCHEMBL8730559 0.71 QDPR (0.41) QDPR
SCHEMBL9103505 0.69 QDPR (0.40) QDPR
SCHEMBL9568968 0.69 QDPR (0.40) QDPR
Maleic Acid SCHEMBL9129197 0.69 CYP3A4 (0.37) QDPRALDH1A1MEN1KMT2ASMN1; SMN2
Fumaric Acid SCHEMBL9129206 0.69 CYP3A4 (0.37) QDPRALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL11084386 0.68 QDPR (0.39) QDPR
SCHEMBL14340657 0.68 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 11 patents. 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-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
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-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
EP-1572678-A2 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS Elan Pharmaceuticals, Inc. (US) 2005-09-14 EP disclosed
US-20040147520-A1 Sulfonylquinoxalone acetamide derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-29 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 (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-20060293332-A1 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists BDKRB2, BDKRB1, PDXK QDPR 152/4885ALDH1A1 3104/4885MEN1 1931/4885
US-20040147520-A1 Sulfonylquinoxalone acetamide derivatives and related compounds as bradykinin antagonists BDKRB2, BDKRB1, PDXK QDPR 145/4885ALDH1A1 2366/4885MEN1 1916/4885

“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.