SCHEMBL5659561

SCHEMBL5659561

O=C(NCc1ccc(C(F)(F)F)cc1)Nc1ccc2ccncc2c1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.70
IMPDH2 P12268 1/20 0.66
TRPV1 Q8NER1 5/20 0.62
MTOR P42345 3/20 0.59
PRMT3 O60678 3/20 0.56
OPRM1 P35372 1/20 0.55
ROCK2 O75116 1/20 0.54
MCHR1 Q99705 1/20 0.52

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
SCHEMBL5658162 0.95 IMPDH2 (0.73) NAMPTIMPDH2TRPV1MTORPRMT3
SCHEMBL11614113 0.83 NAMPT (1.00) NAMPTMTOR
SCHEMBL5658881 0.82 IMPDH2 (0.70) NAMPTIMPDH2TRPV1PRMT3
SCHEMBL20353462 0.80 IMPDH2 (0.78) NAMPTIMPDH2TRPV1PRMT3ROCK2
SCHEMBL2162998 0.80 IMPDH2 (1.00) NAMPTIMPDH2PRMT3ROCK2
SCHEMBL29258285 0.79 NAMPT (0.85) NAMPTMTOR
SCHEMBL5445973 0.79 ROCK2 (0.61) NAMPTTRPV1MTORPRMT3ROCK2
SCHEMBL5448591 0.79 ROCK1 (0.74) NAMPTMTORPRMT3ROCK2
SCHEMBL5658779 0.79 TRPV1 (0.77) NAMPTTRPV1
SCHEMBL5448507 0.79 PRMT3 (0.64) NAMPTTRPV1MTORPRMT3MCHR1

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 NAMPT 1466/4885IMPDH2 3396/4885TRPV1 37/4885

“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.