SCHEMBL5659541

SCHEMBL5659541

O=C(Nc1cccc2cnccc12)NC1CCC(c2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 16/20 0.56
EPHX1 P07099 1/20 0.55
CCNE1 P24864 1/20 0.53
CDK2 P24941 1/20 0.53
CDK5 Q00535 1/20 0.53
ALDH1A1 P00352 1/20 0.52
L3MBTL1 Q9Y468 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
SCHEMBL14860966 0.86 EPHX1 (0.70) TRPV1EPHX1CCNE1CDK2CDK5
SCHEMBL13595613 0.85 EPHX1 (0.72) TRPV1EPHX1CCNE1CDK2CDK5
SCHEMBL4020657 0.81 TRPV1 (0.57) TRPV1
SCHEMBL4020653 0.81 TRPV1 (0.57) TRPV1
SCHEMBL22049740 0.81 TRPV1 (0.53) TRPV1ALDH1A1L3MBTL1
SCHEMBL13763336 0.79 TRPV1 (0.60) TRPV1CCNE1CDK2CDK5
SCHEMBL22049599 0.78 TRPV1 (0.54) TRPV1ALDH1A1L3MBTL1
SCHEMBL5660097 0.78 TRPV1 (0.71) TRPV1CCNE1CDK2CDK5
SCHEMBL1351616 0.77 PRKCZ (0.70) TRPV1EPHX1CCNE1CDK2CDK5
SCHEMBL13841567 0.77 ROCK2 (0.73)

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 37/4885EPHX1 1710/4885CCNE1 574/4885

“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.