SCHEMBL12350367

SCHEMBL12350367

CC(=O)c1ccccc1-c1ccc2[nH]c(C#Cc3cccc(C)c3)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 6/20 0.45
▸ DHODH Q02127 1/20 0.44
▸ HCRTR1 O43613 3/20 0.38
▸ HCRTR2 O43614 3/20 0.38
▸ CHEK1 O14757 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CDK4 P11802 1/20 0.35
▸ CCND1 P24385 1/20 0.35
▸ GRM5 P41594 2/20 0.34
▸ ALOX5AP P20292 1/20 0.34
▸ FEN1 P39748 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ FFAR1 O14842 1/20 0.34

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
SCHEMBL1796040 0.89 TRPV1 (0.45) TRPV1DHODHCHEK1GRM5ALOX5AP
SCHEMBL1799452 0.86 TRPV1 (0.49) TRPV1DHODHGRM5FFAR1
SCHEMBL1801530 0.84 TRPV1 (0.46) TRPV1DHODHCHEK1ALOX5APFEN1
SCHEMBL1797505 0.82 TRPV1 (0.46) TRPV1DHODH
SCHEMBL12350375 0.82 TRPV1 (0.69) TRPV1DHODHGRM5
SCHEMBL12350369 0.82 TRPV1 (0.45) TRPV1DHODHGRM5
SCHEMBL12350374 0.82 TRPV1 (0.69) TRPV1DHODHALOX5APFEN1
SCHEMBL12350320 0.81 TRPV1 (0.43) TRPV1DHODHL3MBTL1
SCHEMBL1796010 0.80 TRPV1 (0.44) TRPV1DHODH
SCHEMBL12350376 0.79 TRPV1 (0.48) TRPV1ALOX5APFEN1

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-20110190344-A1 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2011-08-04 — — US disclosed
US-20110190364-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 (2 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-20110190364-A1 BENZIMIDAZOLE MODULATORS OF VR1 VRK1, VRK2, VIL1 TRPV1 29/4885DHODH 3680/4885HCRTR1 3055/4885
US-20110190344-A1 BENZIMIDAZOLE MODULATORS OF VR1 VRK1, VRK2, VIL1 TRPV1 29/4885DHODH 3680/4885HCRTR1 3055/4885

“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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