SCHEMBL4531361

SCHEMBL4531361

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 7/20 0.41
NPC1 O15118 6/20 0.41
RAB9A P51151 6/20 0.41
MAOB P27338 1/20 0.41
TRPV1 Q8NER1 3/20 0.41
MAPK1 P28482 2/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
PTPN1 P18031 1/20 0.40
PDE10A Q9Y233 2/20 0.38
TP53 P04637 3/20 0.38
TSHR P16473 1/20 0.38
SCD O00767 1/20 0.37

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
SCHEMBL4533232 0.91 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL16938654 0.90 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4527662 0.89 NPC1 (0.46) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4533671 0.89 NPC1 (0.42) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4554816 0.88 TRPV1 (0.53) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4528467 0.86 TRPV1 (0.45) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4526405 0.86 TRPV1 (0.44) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4528005 0.86 TRPV1 (0.43) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4530589 0.86 NPC1 (0.45) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL14191743 0.85 TRPV1 (0.43) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19

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 ALDH1A1 747/4885CYP1A2 865/4885CYP3A4 684/4885

“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.