SCHEMBL1796912

SCHEMBL1796912

CC(O)c1ccccc1-c1ccc2[nH]c(C3CC3c3ccc(Cl)cc3)nc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNA1 P02708 1/20 0.39
▸ CHRNG P07510 1/20 0.39
▸ ITGA5 P08648 1/20 0.39
▸ CHRNB1 P11230 1/20 0.39
▸ CHRNB2 P17787 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ CHRNB4 P30926 1/20 0.39
▸ CHRNA3 P32297 1/20 0.39
▸ CHRNA4 P43681 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ CHRND Q07001 1/20 0.39
▸ TRPV1 Q8NER1 3/20 0.38
▸ TRPA1 O75762 1/20 0.35
▸ ROCK1 Q13464 1/20 0.34
▸ PDE10A Q9Y233 4/20 0.33
▸ AAK1 Q2M2I8 1/20 0.32
▸ LPAR2 Q9HBW0 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ CYP1A2 P05177 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
SCHEMBL1801077 0.90 TRPV1 (0.37) CHRNA1CHRNGITGA5CHRNB1CHRNB2
SCHEMBL1795354 0.87 TRPV1 (0.36) CHRNB2CHRNA4TRPV1TRPA1MEN1
SCHEMBL1798025 0.85 BRD4 (0.41) TRPV1MAPTNPSR1
SCHEMBL12350211 0.85 TRPV1 (0.40) TRPV1TRPA1PDE10A
SCHEMBL1799525 0.84 TRPV1 (0.39) TRPV1TRPA1PDE10AHCRTR1HCRTR2
SCHEMBL1797547 0.83 TRPV1 (0.41) TRPV1CYP2C19MEN1MAPTKMT2A
SCHEMBL1796718 0.82 KDM1A (0.38) TRPV1TRPA1MAPK1
SCHEMBL1797327 0.82 HCRTR1 (0.39) CHRNA1CHRNGITGA5CHRNB1CHRNB2
SCHEMBL1797611 0.82 TRPV1 (0.50) CHRNA1CHRNGITGA5CHRNB1CHRNB2
SCHEMBL1796625 0.82 TRPV1 (0.47) TRPV1TRPA1LPAR2HCRTR1HCRTR2

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 18 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
EP-2021330-A2 BENZIMIDAZOLE MODULATORS OF VR1 Janssen Pharmaceutica, N.V. (BE) 2009-02-11 — — EP claimed
WO-2007130780-A2 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-15 — — WO claimed
US-20070259936-A1 Benzimidazole Modulators of VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-08 — — US claimed
US-20110190344-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-20110190364-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
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 CHRNA1 513/4885CHRNG 2704/4885ITGA5 1139/4885
US-20070259936-A1 Benzimidazole Modulators of VR1 VRK1, VRK2, VIL1 CHRNA1 513/4885CHRNG 2704/4885ITGA5 1139/4885
US-20110190344-A1 BENZIMIDAZOLE MODULATORS OF VR1 VRK1, VRK2, VIL1 CHRNA1 513/4885CHRNG 2704/4885ITGA5 1139/4885

“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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