SCHEMBL4486797

SCHEMBL4486797

NC1CN(C(c2ccc(F)cc2)c2ccc(F)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.46
OPRM1 P35372 4/20 0.41
OPRD1 P41143 3/20 0.41
OPRK1 P41145 3/20 0.41
OPRL1 P41146 2/20 0.41
CACNA1B Q00975 4/20 0.41
IGF1R P08069 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 3/20 0.38
CYP2D6 P10635 2/20 0.38
HIF1A Q16665 2/20 0.38
MAPT P10636 2/20 0.38
CYP19A1 P11511 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAPK1 P28482 1/20 0.38
THPO P40225 1/20 0.38
CACNA2D1 P54289 1/20 0.38

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
SCHEMBL6983812 0.81 ACHE (0.51) ACHEOPRM1OPRD1OPRK1OPRL1
SCHEMBL2905814 0.80 CYP2D6 (0.52) OPRM1OPRD1OPRK1OPRL1MEN1
SCHEMBL7275198 0.80 ACHE (0.46) ACHEOPRM1OPRD1OPRK1OPRL1
SCHEMBL72466 0.79 OPRM1 (0.48) OPRM1OPRD1OPRK1OPRL1MEN1
Hydrochloric Acid SCHEMBL10506432 0.78 OPRM1 (0.47) OPRM1OPRD1OPRK1OPRL1MEN1
Hydrochloric Acid SCHEMBL10401309 0.78 OPRM1 (0.47) OPRM1OPRD1OPRK1OPRL1MEN1
SCHEMBL7446995 0.76 OPRD1 (0.49) ACHEOPRM1OPRD1OPRK1OPRL1
SCHEMBL3334711 0.72 ACHE (0.50) ACHEOPRM1OPRD1OPRK1OPRL1
SCHEMBL14280201 0.71 ACHE (0.71) ACHEOPRM1OPRD1OPRK1OPRL1
SCHEMBL6774627 0.71 OPRM1 (0.48) OPRM1OPRD1OPRK1OPRL1CACNA1B

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 ACHE 474/4885OPRM1 5/4885OPRD1 7/4885

“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.