SCHEMBL4531345

SCHEMBL4531345

CC(C)(O)c1ccccc1-c1ccc2[nH]c(COc3ccccc3)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.53
NPC1 O15118 8/20 0.53
SMN1; SMN2 Q16637 7/20 0.53
TP53 P04637 3/20 0.53
TSHR P16473 1/20 0.53
TRPV1 Q8NER1 6/20 0.50
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 2/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PKM P14618 1/20 0.43

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
SCHEMBL4527210 0.92 RAB9A (0.57) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL4514053 0.90 TRPV1 (0.62) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL4525093 0.90 TRPV1 (0.57) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL4533920 0.88 TRPV1 (0.44) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL4537828 0.88 TRPV1 (0.44) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL4531396 0.88 TRPV1 (0.55) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL12350141 0.82 TRPV1 (0.62) RAB9ANPC1SMN1; SMN2TRPV1ALDH1A1
SCHEMBL4443100 0.80 RAB9A (0.53) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL1800570 0.80 TRPV1 (0.67) RAB9ANPC1TRPV1
SCHEMBL4529978 0.78 RAB9A (0.53) RAB9ANPC1SMN1; SMN2TP53TSHR

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 15 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 claimed
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
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
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 RAB9A 3194/4885NPC1 282/4885SMN1; SMN2 4288/4885

“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.