SCHEMBL4533671

SCHEMBL4533671

CON(C)C(=O)C(O)c1ccccc1-c1ccc2[nH]c(COc3ccc(C(F)(F)F)cc3)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
PKM P14618 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
TRPV1 Q8NER1 4/20 0.41
MAOB P27338 1/20 0.39
TP53 P04637 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
PDE10A Q9Y233 3/20 0.36
PTPN1 P18031 1/20 0.36

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
SCHEMBL4527662 0.93 NPC1 (0.46) NPC1RAB9ASMN1; SMN2LMNAHTT
SCHEMBL4531361 0.89 ALDH1A1 (0.46) NPC1RAB9ASMN1; SMN2LMNAHTT
SCHEMBL4533232 0.88 ALDH1A1 (0.46) NPC1RAB9ASMN1; SMN2LMNAHTT
SCHEMBL16938654 0.87 ALDH1A1 (0.47) NPC1RAB9ASMN1; SMN2LMNAHTT
SCHEMBL4554816 0.85 TRPV1 (0.53) NPC1RAB9ASMN1; SMN2LMNAHTT
SCHEMBL4528467 0.83 TRPV1 (0.45) NPC1RAB9ASMN1; SMN2LMNAHTT
SCHEMBL4526405 0.83 TRPV1 (0.44) NPC1RAB9ASMN1; SMN2LMNAHTT
SCHEMBL4528005 0.83 TRPV1 (0.43) NPC1RAB9ASMN1; SMN2LMNAHTT
SCHEMBL4530589 0.83 NPC1 (0.45) NPC1RAB9ASMN1; SMN2LMNAHTT
SCHEMBL14191743 0.82 TRPV1 (0.43) NPC1RAB9ASMN1; SMN2LMNAHTT

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 13 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
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 NPC1 282/4885RAB9A 3194/4885SMN1; 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.