SCHEMBL4482959

SCHEMBL4482959

NC1CN(c2ncccc2C(F)(F)F)C1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.59
HSD11B1 P28845 9/20 0.55
TRPV1 Q8NER1 3/20 0.49
GAA P10253 2/20 0.48
DPP4 P27487 1/20 0.47
DPP7 Q9UHL4 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
RBP4 P02753 2/20 0.46

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
SCHEMBL3818669 0.88 EPHX2 (0.57) EPHX2HSD11B1TRPV1GAADPP4
SCHEMBL3818667 0.88 EPHX2 (0.57) EPHX2HSD11B1TRPV1GAADPP4
SCHEMBL4320157 0.88 EPHX2 (0.56) EPHX2HSD11B1TRPV1GAADPP4
SCHEMBL1349136 0.84 EPHX2 (0.64) EPHX2HSD11B1TRPV1GAADPP4
SCHEMBL14973800 0.84 EPHX2 (0.59) EPHX2HSD11B1TRPV1GAAMAPT
SCHEMBL25154349 0.81 EPHX2 (0.56) EPHX2HSD11B1TRPV1GAARBP4
SCHEMBL25154314 0.81 EPHX2 (0.56) EPHX2HSD11B1TRPV1GAARBP4
SCHEMBL22668886 0.78 EPHX2 (0.73) EPHX2HSD11B1GAAMAPTTSHR
SCHEMBL30582915 0.77 EPHX2 (0.68) EPHX2HSD11B1TRPV1GAAMAPT
SCHEMBL22669112 0.77 EPHX2 (0.71) EPHX2HSD11B1TRPV1GAAMAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060276447-A1 Urea derivatives and their use as vanilloid receptor antagonists in the treatment of pain GLAXO GROUP LIMITED (GB) 2006-12-07 US claimed
EP-1601665-A2 UREA DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-12-07 EP claimed
WO-2004078744-A2 UREA DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR ANTAGONISTS IN THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2004-09-16 WO claimed
US-7514562-B2 Urea derivatives and their use as vanilloid receptor antagonists in the treatment of pain GLAXO GROUP LIMITED (GB) 2009-04-07 US disclosed
US-20060276447-A1 Urea derivatives and their use as vanilloid receptor antagonists in the treatment of pain GLAXO GROUP LIMITED (GB) 2006-12-07 US disclosed
EP-1601665-A2 UREA DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-12-07 EP disclosed
WO-2004078744-A2 UREA DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR ANTAGONISTS IN THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2004-09-16 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 (1 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-20060276447-A1 Urea derivatives and their use as vanilloid receptor antagonists in the treatment of pain TRPV1, UTS2R, OPRL1 EPHX2 3279/4885HSD11B1 3894/4885TRPV1 1/4885

“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.