SCHEMBL4442924

SCHEMBL4442924

CC(C)(C)OC(=O)n1c(COc2ccc(C(F)(F)F)cc2)nc2cc(Br)ccc21

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 4/20 0.41
NR1H2 P55055 5/20 0.40
IDO1 P14902 1/20 0.38
PPARG P37231 4/20 0.38
PPARD Q03181 5/20 0.38
MAOB P27338 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
RXRA P19793 3/20 0.38
NR1H3 Q13133 2/20 0.38
PPARA Q07869 2/20 0.38

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
SCHEMBL4523618 0.82 HIF1A (0.40) ALOX5APPPARGPPARD
SCHEMBL856144 0.81 TBXA2R (0.39) ALOX5APNR1H2PPARGNR1H3
SCHEMBL16150279 0.80 CCNB2 (0.37) NR1H2PPARGNR1H3
SCHEMBL1300216 0.76 CNR2 (0.38) NR1H2NR1H3
SCHEMBL31144615 0.75 HTR6 (0.44) NR1H2PPARGHDAC6NR1H3
SCHEMBL3756850 0.74 CCNB2 (0.41) NR1H2NR1H3PPARA
SCHEMBL4527113 0.73 CCNB2 (0.38) NR1H2NR1H3PPARA
SCHEMBL6743268 0.73 MAP2K4 (0.42) NR1H2
SCHEMBL20593183 0.72 TBXA2R (0.37) ALOX5APPPARGHDAC6
SCHEMBL10173079 0.71 CCNB2 (0.39) NR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2124563-B1 BENZIMIDAZOLE TRPV1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-07-29 EP disclosed
EP-2124563-A1 BENZIMIDAZOLE TRPV1 INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2009-12-02 EP disclosed
US-7612211-B2 Benzimidazole TRPV1 inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2009-11-03 US disclosed
US-7612211-B2 Benzimidazole TRPV1 inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2009-11-03 US disclosed
US-7612211-B2 Benzimidazole TRPV1 inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2009-11-03 US disclosed
WO-2008076752-A1 BENZIMIDAZOLE TRPV1 INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-26 WO disclosed
US-20080146637-A1 BENZIMIDAZOLE TRPV1 INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-19 US disclosed
US-20080146637-A1 BENZIMIDAZOLE TRPV1 INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-19 US disclosed
US-20080146637-A1 BENZIMIDAZOLE TRPV1 INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-19 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 (1 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-20080146637-A1 BENZIMIDAZOLE TRPV1 INHIBITORS TRPV1, TRPV2, TRPA1 ALOX5AP 571/4885NR1H2 947/4885IDO1 716/4885

“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.