SCHEMBL1799978

SCHEMBL1799978

NC(=O)c1ccccc1-c1ccc2[nH]c(C3CC3c3ccc(C(F)(F)F)cc3)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 4/20 0.43
▸ TRPV1 Q8NER1 2/20 0.42
▸ ROCK2 O75116 1/20 0.40
▸ CASP1 P29466 1/20 0.39
▸ FPR2 P25090 3/20 0.38
▸ FPR1 P21462 1/20 0.38
▸ CCR6 P51684 1/20 0.38
▸ LPAR2 Q9HBW0 1/20 0.38
▸ HCRTR1 O43613 2/20 0.37
▸ HCRTR2 O43614 2/20 0.37
▸ MAP4K1 Q92918 1/20 0.37
▸ CSF1R P07333 1/20 0.36
▸ CHEK2 O96017 1/20 0.36
▸ P2RY14 Q15391 2/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ TMEM97 Q5BJF2 1/20 0.35
▸ SIGMAR1 Q99720 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
SCHEMBL12350612 0.88 HCRTR1 (0.45) TRPV1HCRTR1HCRTR2MAP4K1
SCHEMBL1800337 0.85 CHUK (0.40) TRPV1ROCK2LPAR2P2RY14KCNH2
SCHEMBL1797596 0.83 TRPV1 (0.52) TRPV1ROCK2
SCHEMBL1798709 0.83 TRPV1 (0.52) TRPV1ROCK2
SCHEMBL1800621 0.83 TRPV1 (0.52) TRPV1ROCK2
SCHEMBL1796493 0.83 TRPV1 (0.52) TRPV1ROCK2
SCHEMBL1797750 0.83 TRPV1 (0.52) TRPV1ROCK2
SCHEMBL12359141 0.83 ROCK2 (0.38) PARP1TRPV1ROCK2LPAR2KCNH2
SCHEMBL1796478 0.83 TRPV1 (0.40) TRPV1ROCK2FPR2FPR1LPAR2
SCHEMBL1800653 0.82 TRPV1 (0.52) TRPV1ROCK2LPAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951829-B2 Benzimidazole modulators of VR1 JANSSEN PHARMACEUTICA NV (BE) 2011-05-31 — — US claimed
EP-2021330-B1 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA NV (BE) 2010-09-22 — — EP claimed
US-20070259936-A1 Benzimidazole Modulators of VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-08 — — US claimed
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
US-7951829-B2 Benzimidazole modulators of VR1 JANSSEN PHARMACEUTICA NV (BE) 2011-05-31 — — US disclosed
US-7951829-B2 Benzimidazole modulators of VR1 JANSSEN PHARMACEUTICA NV (BE) 2011-05-31 — — US disclosed
EP-2021330-B1 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA NV (BE) 2010-09-22 — — EP disclosed
EP-2021330-B1 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA NV (BE) 2010-09-22 — — EP disclosed
EP-2021330-A2 BENZIMIDAZOLE MODULATORS OF VR1 Janssen Pharmaceutica, N.V. (BE) 2009-02-11 — — EP disclosed
WO-2007130780-A2 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-15 — — WO disclosed
WO-2007130780-A2 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-15 — — WO disclosed
US-20070259936-A1 Benzimidazole Modulators of VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-08 — — US disclosed
US-20070259936-A1 Benzimidazole Modulators of VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-08 — — 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 (3 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 PARP1 2675/4885TRPV1 29/4885ROCK2 4179/4885
US-20070259936-A1 Benzimidazole Modulators of VR1 VRK1, VRK2, VIL1 PARP1 2675/4885TRPV1 29/4885ROCK2 4179/4885
US-20110190344-A1 BENZIMIDAZOLE MODULATORS OF VR1 VRK1, VRK2, VIL1 PARP1 2675/4885TRPV1 29/4885ROCK2 4179/4885

“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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