SCHEMBL12355441

SCHEMBL12355441

CC(O)c1ccccc1-c1ccc2[nH]c(CCc3ccc(OCC(C)(F)F)cc3)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.47
PDE10A Q9Y233 1/20 0.37
BRS3 P32247 4/20 0.35
RAB9A P51151 2/20 0.35
FFAR1 O14842 1/20 0.35
CACNA1B Q00975 1/20 0.35
NPC1 O15118 1/20 0.35
NTRK1 P04629 4/20 0.35
NTRK2 Q16620 3/20 0.35
SCD O00767 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL1800046 0.94 TRPV1 (0.47) TRPV1PDE10ARAB9AFFAR1CACNA1B
SCHEMBL1798091 0.92 TRPV1 (0.44) TRPV1PDE10ABRS3RAB9AFFAR1
SCHEMBL12350136 0.89 TRPV1 (0.48) TRPV1PDE10ABRS3RAB9ANPC1
SCHEMBL12350135 0.89 ALDH1A1 (0.43) TRPV1BRS3RAB9AFFAR1NPC1
SCHEMBL12350130 0.88 TRPV1 (0.47) TRPV1PDE10ARAB9ANPC1NTRK1
SCHEMBL12359243 0.87 TRPV1 (0.45) TRPV1PDE10ARAB9ANPC1NTRK1
SCHEMBL1795333 0.87 TRPV1 (0.45) TRPV1PDE10ARAB9ANPC1NTRK1
SCHEMBL12350139 0.84 TRPV1 (0.47) TRPV1BRS3NTRK1NTRK2
SCHEMBL12350338 0.82 TRPV1 (0.47) TRPV1FFAR1SCDHTT
SCHEMBL1798998 0.82 TRPV1 (0.44) TRPV1BRS3RAB9ANPC1NTRK1

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-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 (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-20110190364-A1 BENZIMIDAZOLE MODULATORS OF VR1 VRK1, VRK2, VIL1 TRPV1 29/4885PDE10A 1432/4885BRS3 331/4885

“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.