SCHEMBL4476424

SCHEMBL4476424

Cc1cc(C(F)(F)F)cc(N2CC(N)C2)n1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.58
ACACB O00763 1/20 0.47
HRH4 Q9H3N8 3/20 0.39
RBP4 P02753 1/20 0.37
KHK P50053 1/20 0.37
POLQ O75417 6/20 0.36
SYK P43405 1/20 0.35

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
SCHEMBL3827250 0.88 HRH4 (0.51) HRH3ACACBHRH4POLQSYK
SCHEMBL3827249 0.88 HRH4 (0.51) HRH3ACACBHRH4POLQSYK
SCHEMBL4499542 0.85 IDH2 (0.43) HRH3ACACBHRH4POLQSYK
SCHEMBL30475258 0.79 CRHBP (0.51) ACACBHRH4
SCHEMBL3326219 0.75 ADRB1 (0.57) HRH4
SCHEMBL30475275 0.74 KDM4E (0.50) ACACBRBP4KHKPOLQ
SCHEMBL4471479 0.73 ADRB1 (0.59) HRH3ACACBHRH4SYK
SCHEMBL30475250 0.73 NOTUM (0.55) ACACBRBP4
SCHEMBL4481027 0.72 ACACB (0.49) ACACBKHKSYK
SCHEMBL2070887 0.72 KDM4E (0.58) ACACBRBP4POLQSYK

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 HRH3 208/4885ACACB 4799/4885HRH4 66/4885

“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.