SCHEMBL4525445

SCHEMBL4525445

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.51
MAOB P27338 1/20 0.43
NPC1 O15118 7/20 0.41
RAB9A P51151 7/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
TP53 P04637 2/20 0.41
TSHR P16473 1/20 0.41
PDE10A Q9Y233 3/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 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
CYP2D6 P10635 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
SCHEMBL4517636 0.91 TRPV1 (0.51) TRPV1MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL4524571 0.91 TRPV1 (0.62) TRPV1MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL4532783 0.90 TRPV1 (0.61) TRPV1MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL4532787 0.90 TRPV1 (0.61) TRPV1MAOBNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL4537061 0.90 TRPV1 (0.61) TRPV1MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL4522423 0.88 TRPV1 (0.49) TRPV1MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL4513776 0.88 TRPV1 (0.49) TRPV1MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL4518686 0.87 TRPV1 (0.48) TRPV1MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL4522572 0.87 TRPV1 (0.48) TRPV1
SCHEMBL4523236 0.87 TRPV1 (0.47) TRPV1MAOBNPC1RAB9ASMN1; 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 11 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-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 TRPV1 1/4885MAOB 1031/4885NPC1 282/4885

“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.