SCHEMBL12359286

SCHEMBL12359286

NSc1ccccc1-c1ccc2[nH]c(/C=C/c3ccccc3C(F)(F)F)nc2c1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 16/20 0.60
▸ TRPM8 Q7Z2W7 2/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ TNF P01375 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NOD1 Q9Y239 1/20 0.39
▸ BACE1 P56817 1/20 0.38
▸ TRPA1 O75762 1/20 0.38

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
SCHEMBL12359231 0.92 TRPV1 (0.52) TRPV1TRPM8CYP3A4CYP2C9
SCHEMBL12359287 0.84 NPC1 (0.48) TRPV1RAB9A
SCHEMBL1798089 0.82 TRPV1 (0.86) TRPV1TRPM8CYP3A4CYP2C9
SCHEMBL1798093 0.82 TRPV1 (0.86) TRPV1TRPM8CYP3A4CYP2C9
SCHEMBL1801446 0.82 TRPV1 (0.65) TRPV1TRPM8CYP3A4CYP2C9TNF
SCHEMBL1801447 0.82 TRPV1 (0.65) TRPV1TRPM8CYP3A4CYP2C9TNF
SCHEMBL12359235 0.82 TRPV1 (0.54) TRPV1RAB9A
SCHEMBL12358850 0.81 TRPV1 (0.62) TRPV1TRPM8CYP3A4CYP2C9TNF
SCHEMBL12359282 0.79 TRPV1 (0.55) TRPV1RAB9A
SCHEMBL12653103 0.78 MEN1 (0.57) TRPV1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190344-A1 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2011-08-04 — — 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-20110190344-A1 BENZIMIDAZOLE MODULATORS OF VR1 VRK1, VRK2, VIL1 TRPV1 29/4885TRPM8 229/4885CYP3A4 73/4885

“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.

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