SCHEMBL13637818

SCHEMBL13637818

CC(=O)Oc1cccc(-c2ccc3[nH]c(COc4ccc(C(F)(F)F)cc4)nc3c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.45
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
LMNA P02545 1/20 0.45
PKM P14618 1/20 0.45
HTT P42858 1/20 0.45
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
TP53 P04637 2/20 0.41
TSHR P16473 1/20 0.41
FFAR1 O14842 5/20 0.41
BACE1 P56817 1/20 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
SCHEMBL4554407 0.85 ALDH1A1 (0.45) MAOBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL13637817 0.85 BACE1 (0.46) MAOBNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL4536368 0.85 MAOB (0.45) MAOBNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL4527045 0.85 MRGPRX4 (0.55) MAOBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4523255 0.84 NPC1 (0.51) MAOBNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL4553440 0.84 SMN1; SMN2 (0.48) MAOBNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL4529910 0.84 RAB9A (0.53) MAOBNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL4554546 0.82 FFAR1 (0.46) MAOBNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL4529815 0.82 MAOB (0.45) MAOBNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL4554536 0.82 FFAR1 (0.43) MAOBNPC1RAB9ASMN1; SMN2LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 MAOB 1031/4885NPC1 282/4885RAB9A 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.