SCHEMBL5656769

SCHEMBL5656769

O=C(NCc1ccc(C(F)(F)F)cc1)Nc1cccc2cnc(C(=O)O)cc12

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 18/20 0.70
KDM4E B2RXH2 2/20 0.53
ASPH Q12797 1/20 0.53
RIOX2 Q8IUF8 1/20 0.53
KDM8 Q8N371 1/20 0.53
GSK3B P49841 1/20 0.51

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
SCHEMBL5657625 0.90 TRPV1 (0.68) TRPV1KDM4E
SCHEMBL5656245 0.88 TRPV1 (0.73) TRPV1KDM4EGSK3B
SCHEMBL4025617 0.87 TRPV1 (0.72) TRPV1
SCHEMBL5660751 0.87 TRPV1 (0.72) TRPV1
SCHEMBL4023830 0.86 TRPV1 (0.59) TRPV1KDM4EGSK3B
SCHEMBL5658827 0.84 TRPV1 (0.68) TRPV1
SCHEMBL5660918 0.84 TRPV1 (0.68) TRPV1
SCHEMBL6686578 0.82 TRPV1 (0.68) TRPV1KDM4EGSK3B
SCHEMBL2730561 0.81 TRPV1 (1.00) TRPV1
SCHEMBL30391881 0.81 TRPV1 (1.00) TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7285563-B2 Heteroaromatic urea derivatives as VR-1 receptor modulators for treating pain MERCK SHARP & DOHME LTD. (GB) 2007-10-23 US disclosed
US-20050107388-A1 Heteroaromatic urea derivatives as vr-1receptor modulators for treating pain MERCK SHARP & DOHME LTD. (GB) 2005-05-19 US disclosed
EP-1490340-A1 HETEROAROMATIC UREA DERIVATIVES AS VR-1 RECEPTOR MODULATORS FOR TREATING PAIN MERCK SHARP & DOHME LTD. (GB) 2004-12-29 EP disclosed
WO-2003080578-A1 HETEROAROMATIC UREA DERIVATIVES AS VR-1 RECEPTOR MODULATORS FOR TREATING PAIN MERCK SHARP & DOHME LIMITED (GB) 2003-10-02 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-20050107388-A1 Heteroaromatic urea derivatives as vr-1receptor modulators for treating pain ARRB1, OPRL1, CNR1 TRPV1 37/4885KDM4E 3121/4885ASPH 4166/4885

“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.