SCHEMBL4985648

SCHEMBL4985648

O=C(NCCc1cccc(C(F)(F)F)c1)c1ccc2c(c1)nc(COc1ccccc1)n2Cc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.49
ALOX5AP P20292 4/20 0.47
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
MAPT P10636 3/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MAPK14 Q16539 1/20 0.43
NAMPT P43490 1/20 0.43
TP53 P04637 1/20 0.43
PPARG P37231 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
SCHEMBL4989051 0.91 TP53 (0.52) TRPV1ALOX5APCNR1CNR2MAPT
SCHEMBL2982417 0.86 ALOX5AP (0.53) ALOX5APCNR1CNR2HDAC6MAPK14
SCHEMBL2983815 0.86 ALOX5AP (0.52) ALOX5APCNR1CNR2MAPTHDAC6
SCHEMBL2977156 0.85 CNR2 (0.54) ALOX5APCNR1CNR2MAPTHDAC6
SCHEMBL2985069 0.84 CNR2 (0.56) ALOX5APCNR1CNR2HDAC6
SCHEMBL2987507 0.84 CNR2 (0.56) ALOX5APCNR1CNR2HDAC6
SCHEMBL2976559 0.83 ALOX5AP (0.52) ALOX5APCNR1CNR2MAPTHDAC6
SCHEMBL5286848 0.83 ALOX5AP (0.49) ALOX5APCNR1CNR2MAPTHDAC6
SCHEMBL2981649 0.83 EPHX2 (0.53) ALOX5APHDAC6PPARG
SCHEMBL2981592 0.82 ALOX5AP (0.52) ALOX5APMAPTHDAC6TP53PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7384945-B2 Indole or benzimidazole derivatives as CB1 inverse agonists HOFFMANN-LA ROCHE INC. (US) 2008-06-10 US disclosed
US-20060089367-A1 New indole or benzimidazole derivatives as CB1 inverse agonists F. HOFFMANN-LA ROCHE AG (CH) 2006-04-27 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-20060089367-A1 New indole or benzimidazole derivatives as CB1 inverse agonists CNR1, CNR2, GPR119 TRPV1 11/4885ALOX5AP 910/4885CNR1 1/4885

“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.