SCHEMBL4554435

SCHEMBL4554435

CC(=O)Nc1ccccc1-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
TRPV1 Q8NER1 4/20 0.45
MAOB P27338 1/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
LMNA P02545 3/20 0.43
PKM P14618 2/20 0.43
HTT P42858 2/20 0.43
PARP1 P09874 1/20 0.41
DHODH Q02127 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.40
TOP2A P11388 1/20 0.40
MEN1 O00255 2/20 0.40
MAPK1 P28482 2/20 0.40
KMT2A Q03164 2/20 0.40

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
SCHEMBL4528906 0.86 TRPV1 (0.53) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4511962 0.86 TRPV1 (0.55) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL1797790 0.85 TRPV1 (0.58) TRPV1SMN1; SMN2NPC1RAB9APKM
SCHEMBL4554906 0.85 MAOB (0.46) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL13637817 0.85 BACE1 (0.46) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4554407 0.85 ALDH1A1 (0.45) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4528019 0.85 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4521977 0.83 KDM4C (0.48) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4536251 0.83 NPC1 (0.50) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4515791 0.83 RAB9A (0.45) 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 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
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 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.