SCHEMBL4554859

SCHEMBL4554859

OCc1ccccc1-c1ccc2[nH]c(COc3ccc(C(F)(F)F)cc3)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
RAB9A P51151 8/20 0.44
NPC1 O15118 7/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
TP53 P04637 2/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PDE10A Q9Y233 3/20 0.43
TRPV1 Q8NER1 3/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 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
SCHEMBL4554335 0.88 NPC1 (0.44) FFAR1FFAR4RAB9ANPC1SMN1; SMN2
SCHEMBL4515791 0.88 RAB9A (0.45) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL4536251 0.86 NPC1 (0.50) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL4512876 0.86 RAB9A (0.45) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL4521691 0.85 TRPV1 (0.40) FFAR1FFAR4RAB9ANPC1SMN1; SMN2
SCHEMBL16927509 0.85 ALDH1A1 (0.41) FFAR1FFAR4RAB9ANPC1SMN1; SMN2
SCHEMBL4515276 0.85 ALDH1A1 (0.45) FFAR1FFAR4RAB9ANPC1SMN1; SMN2
SCHEMBL4554763 0.85 PDE10A (0.42) FFAR1FFAR4RAB9ANPC1SMN1; SMN2
SCHEMBL4521977 0.84 KDM4C (0.48) FFAR1FFAR4RAB9ANPC1SMN1; SMN2
SCHEMBL4514053 0.84 TRPV1 (0.62) 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 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 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 FFAR1 335/4885FFAR4 293/4885RAB9A 3194/4885

“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.