SCHEMBL5656204

SCHEMBL5656204

N#Cc1nccc2c(NC(=O)NCc3ccc(C(F)(F)F)cc3)cccc12

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 15/20 0.63
NAMPT P43490 2/20 0.49
MTOR P42345 1/20 0.46
GSK3B P49841 2/20 0.44
ABL1 P00519 1/20 0.44
MAP2K2 P36507 1/20 0.44
CSNK1A1 P48729 1/20 0.44
CLK2 P49760 1/20 0.44
GSK3A P49840 1/20 0.44
CDK5 Q00535 1/20 0.44
ACVR1 Q04771 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL5661517 0.85 TRPV1 (0.68) TRPV1NAMPTMTORGSK3BKDM4E
SCHEMBL5658536 0.84 TRPV1 (0.67) TRPV1NAMPTMTORGSK3BKDM4E
SCHEMBL5658537 0.84 TRPV1 (0.67) TRPV1NAMPTMTORGSK3BCLK4
SCHEMBL5658543 0.84 TRPV1 (0.67) TRPV1NAMPTMTORGSK3BKDM4E
SCHEMBL5659104 0.83 TRPV1 (0.66) TRPV1NAMPTMTORGSK3BKDM4E
SCHEMBL5658381 0.83 TRPV1 (0.66) TRPV1NAMPTMTORGSK3BKDM4E
SCHEMBL5658839 0.81 TRPV1 (0.63) TRPV1NAMPTMTOR
SCHEMBL5658533 0.80 TRPV1 (0.62) TRPV1NAMPTMTORKDM4E
SCHEMBL2730561 0.78 TRPV1 (1.00) TRPV1
SCHEMBL5659366 0.78 TRPV1 (0.67) TRPV1NAMPTMTORGSK3BKDM4E

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 2 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

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 37/4885NAMPT 1466/4885MTOR 1495/4885

“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.