SCHEMBL1797327

SCHEMBL1797327

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 8/20 0.39
▸ HCRTR2 O43614 8/20 0.39
▸ HSD17B3 P37058 1/20 0.39
▸ TRPV1 Q8NER1 2/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ SLC6A3 Q01959 2/20 0.37
▸ CHRNA1 P02708 1/20 0.37
▸ CHRNG P07510 1/20 0.37
▸ ITGA5 P08648 1/20 0.37
▸ CHRNB1 P11230 1/20 0.37
▸ CHRNB2 P17787 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ CHRNB4 P30926 1/20 0.37
▸ CHRNA3 P32297 1/20 0.37
▸ CHRNA4 P43681 1/20 0.37
▸ CHRND Q07001 1/20 0.37
▸ IDH1 O75874 1/20 0.37
▸ CHEK1 O14757 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ EGFR P00533 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
SCHEMBL1801849 0.90 HCRTR1 (0.38) HCRTR1HCRTR2HSD17B3TRPV1IDH1
SCHEMBL1800338 0.88 KMT2A (0.38) HCRTR1HCRTR2TRPV1CHEK1
SCHEMBL1796271 0.85 BRD4 (0.41) HCRTR1HCRTR2TRPV1
SCHEMBL1798102 0.83 TRPV1 (0.39) HCRTR1HCRTR2TRPV1CHEK1PDE10A
SCHEMBL12350210 0.83 TRPV1 (0.39) HCRTR1HCRTR2TRPV1EGFRPDE10A
SCHEMBL1796434 0.83 TRPV1 (0.41) HCRTR1HCRTR2TRPV1
SCHEMBL1795392 0.83 KDM1A (0.39) HCRTR1HCRTR2TRPV1
SCHEMBL1796912 0.82 CHRNA1 (0.39) HCRTR1HCRTR2TRPV1ROCK1SLC6A3
SCHEMBL12350612 0.82 HCRTR1 (0.45) HCRTR1HCRTR2TRPV1PDE10A
SCHEMBL1797611 0.82 TRPV1 (0.50) HCRTR1HCRTR2TRPV1ROCK1SLC6A3

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-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-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-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
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 HCRTR1 3055/4885HCRTR2 3386/4885HSD17B3 3320/4885
US-20070259936-A1 Benzimidazole Modulators of VR1 VRK1, VRK2, VIL1 HCRTR1 3055/4885HCRTR2 3386/4885HSD17B3 3320/4885
US-20110190344-A1 BENZIMIDAZOLE MODULATORS OF VR1 VRK1, VRK2, VIL1 HCRTR1 3055/4885HCRTR2 3386/4885HSD17B3 3320/4885

“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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