SCHEMBL1796327

SCHEMBL1796327

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 7/20 0.47
▸ FFAR1 O14842 1/20 0.35
▸ SCD O00767 1/20 0.35
▸ CYP17A1 P05093 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ CACNA1B Q00975 1/20 0.34
▸ FAAH O00519 1/20 0.34
▸ PRCP P42785 2/20 0.33
▸ TRPV3 Q8NET8 1/20 0.33
▸ USP1 O94782 1/20 0.33
▸ ACACB O00763 1/20 0.33
▸ TRPA1 O75762 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL12350338 0.94 TRPV1 (0.47) TRPV1FFAR1SCDUSP1ACACB
SCHEMBL1796058 0.93 TRPV1 (0.44) TRPV1FFAR1SCDUSP1TRPA1
SCHEMBL12350324 0.90 TRPV1 (0.44) TRPV1FFAR1ACACBTRPA1MEN1
SCHEMBL12350312 0.88 TRPV1 (0.46) TRPV1FFAR1SCDUSP1TRPA1
SCHEMBL1799719 0.88 TRPV1 (0.45) TRPV1FFAR1SCDTRPA1
SCHEMBL12359263 0.86 SCD (0.47) TRPV1SCDCYP17A1CYP2C9CYP2C19
SCHEMBL1799583 0.85 TRPV1 (0.67) TRPV1CACNA1BPRCPTRPA1
SCHEMBL1800627 0.84 TRPV1 (0.47) TRPV1CYP2C9CYP2C19CACNA1B
SCHEMBL1799653 0.83 TRPV1 (0.46) TRPV1TRPA1
SCHEMBL1796632 0.83 TRPV1 (0.49) TRPV1TRPA1

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 17 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-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 TRPV1 29/4885FFAR1 578/4885SCD 4754/4885
US-20070259936-A1 Benzimidazole Modulators of VR1 VRK1, VRK2, VIL1 TRPV1 29/4885FFAR1 578/4885SCD 4754/4885
US-20110190344-A1 BENZIMIDAZOLE MODULATORS OF VR1 VRK1, VRK2, VIL1 TRPV1 29/4885FFAR1 578/4885SCD 4754/4885

“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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