SCHEMBL12350313

SCHEMBL12350313

CC(=O)c1ccccc1-c1ccc2[nH]c(C#Cc3ccc(OC(C)C(F)(F)F)cc3)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 6/20 0.45
▸ DHODH Q02127 1/20 0.35
▸ BACE1 P56817 1/20 0.34
▸ ALOX5AP P20292 1/20 0.34
▸ FEN1 P39748 1/20 0.34
▸ ACACB O00763 3/20 0.34
▸ CHEK1 O14757 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ PIM2 Q9P1W9 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KLF5 Q13887 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ CBFB Q13951 1/20 0.32
▸ SLC6A2 P23975 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ PRKAG1 P54619 1/20 0.31
▸ PRKAA2 P54646 1/20 0.31

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
SCHEMBL1796996 0.93 TRPV1 (0.45) TRPV1DHODHBACE1ALOX5APFEN1
SCHEMBL1800627 0.87 TRPV1 (0.47) TRPV1DHODHBACE1ALOX5APFEN1
SCHEMBL12350332 0.86 TRPV1 (0.47) TRPV1DHODHBACE1ALOX5APFEN1
SCHEMBL12350312 0.86 TRPV1 (0.46) TRPV1DHODH
SCHEMBL1797235 0.85 TRPV1 (0.44) TRPV1DHODHBACE1ALOX5APFEN1
SCHEMBL12350315 0.85 TRPV1 (0.63) TRPV1DHODH
SCHEMBL12350320 0.84 TRPV1 (0.43) TRPV1DHODHACACBNPC1RAB9A
SCHEMBL12350317 0.83 TRPV1 (0.63) TRPV1ALOX5APFEN1
SCHEMBL1801530 0.82 TRPV1 (0.46) TRPV1DHODHALOX5APFEN1CHEK1
SCHEMBL12350308 0.82 TRPV1 (0.46) 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-20110190364-A1 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2011-08-04 — — US disclosed
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 (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 3680/4885BACE1 4636/4885
US-20110190344-A1 BENZIMIDAZOLE MODULATORS OF VR1 VRK1, VRK2, VIL1 TRPV1 29/4885DHODH 3680/4885BACE1 4636/4885

“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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