SCHEMBL2687645

SCHEMBL2687645

O=C(NCc1cc(C(F)(F)F)nn1-c1cccnc1)NC1CCCc2ccc(O)cc21

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 17/20 0.46
MAPK1 P28482 1/20 0.39
CRACR2A Q9BSW2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL300077 0.88 TRPV1 (0.59) TRPV1
SCHEMBL2688115 0.88 TRPV1 (0.53) TRPV1
SCHEMBL2687344 0.87 TRPV1 (0.49) TRPV1MAPK1
SCHEMBL2687709 0.83 TRPV1 (0.58) TRPV1
SCHEMBL2688703 0.81 TRPV1 (0.59) TRPV1
SCHEMBL2687190 0.81 TRPV1 (0.58) TRPV1
SCHEMBL2688159 0.80 TRPV1 (0.50) TRPV1
SCHEMBL2687796 0.80 TRPV1 (0.50) TRPV1
SCHEMBL2688102 0.80 TRPV1 (0.59) TRPV1
SCHEMBL2688699 0.79 TRPV1 (0.49) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115893-A1 Substituted Bicyclic Carboxamide and Urea Compounds as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2012-05-10 US claimed
US-20120115893-A1 Substituted Bicyclic Carboxamide and Urea Compounds as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2012-05-10 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-20120115893-A1 Substituted Bicyclic Carboxamide and Urea Compounds as Vanilloid Receptor Ligands TRPV1, CNR1, CNR2 TRPV1 1/4885MAPK1 1383/4885CRACR2A 1022/4885

“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.