SCHEMBL4554546

SCHEMBL4554546

OCc1cccc(-c2ccc3[nH]c(COc4ccc(C(F)(F)F)cc4)nc3c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.46
MAOB P27338 1/20 0.46
AGXT P21549 1/20 0.43
NPC1 O15118 6/20 0.42
RAB9A P51151 6/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
TP53 P04637 2/20 0.42
TSHR P16473 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL4554556 0.91 MAOB (0.50) FFAR1MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL4536368 0.89 MAOB (0.45) FFAR1MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL4529910 0.87 RAB9A (0.53) FFAR1MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL4523255 0.85 NPC1 (0.51) MAOBNPC1RAB9ASMN1; SMN2TP53
SCHEMBL4529815 0.85 MAOB (0.45) MAOBNPC1RAB9ASMN1; SMN2TP53
SCHEMBL4526333 0.85 MAOB (0.47) MAOBNPC1RAB9ASMN1; SMN2TP53
SCHEMBL4527045 0.84 MRGPRX4 (0.55) FFAR1MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL4554536 0.83 FFAR1 (0.43) FFAR1MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL4554859 0.83 FFAR1 (0.47) FFAR1MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL13637818 0.82 MAOB (0.45) FFAR1MAOBNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2124563-A1 BENZIMIDAZOLE TRPV1 INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2009-12-02 EP claimed
WO-2008076752-A1 BENZIMIDAZOLE TRPV1 INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-26 WO claimed
US-20080146637-A1 BENZIMIDAZOLE TRPV1 INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-19 US claimed
EP-2124563-B1 BENZIMIDAZOLE TRPV1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-07-29 EP disclosed
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
WO-2008076752-A1 BENZIMIDAZOLE TRPV1 INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-26 WO 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

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 FFAR1 335/4885MAOB 1031/4885AGXT 4549/4885

“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.