SCHEMBL2976559

SCHEMBL2976559

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

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 10/20 0.52
HDAC6 Q9UBN7 1/20 0.47
CNR2 P34972 2/20 0.45
CNR1 P21554 1/20 0.45
PPARG P37231 1/20 0.43
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
BCHE P06276 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
GAA P10253 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL2982417 0.90 ALOX5AP (0.53) ALOX5APHDAC6CNR2CNR1PPARG
SCHEMBL2973007 0.87 ALOX5AP (0.52) ALOX5APHDAC6CNR2CNR1MAPT
SCHEMBL2983815 0.86 ALOX5AP (0.52) ALOX5APHDAC6CNR2CNR1MAPT
SCHEMBL2981592 0.86 ALOX5AP (0.52) ALOX5APHDAC6PPARGMAPTTP53
SCHEMBL2977135 0.86 ALOX5AP (0.60) ALOX5APHDAC6CNR2CNR1PPARG
SCHEMBL2977156 0.86 CNR2 (0.54) ALOX5APHDAC6CNR2CNR1MAPT
SCHEMBL2987507 0.85 CNR2 (0.56) ALOX5APHDAC6CNR2CNR1BCHE
SCHEMBL2985069 0.85 CNR2 (0.56) ALOX5APHDAC6CNR2CNR1BCHE
SCHEMBL2981649 0.85 EPHX2 (0.53) ALOX5APHDAC6PPARG
SCHEMBL2977200 0.85 ALOX5AP (0.53) ALOX5APHDAC6CNR2CNR1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786128-B2 Indole or benzimidazole derivatives as CB1 inverse agonists HOFFMANN-LA ROCHE INC. (US) 2010-08-31 US disclosed
US-20080234290-A1 NEW INDOLE OR BENZIMIDAZOLE DERIVATIVES AS CB1 INVERSE AGONISTS BLEICHER KONRAD 2008-09-25 US disclosed
EP-1807398-B1 NEW INDOLE OR BENZIMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-06-25 EP disclosed
US-7384945-B2 Indole or benzimidazole derivatives as CB1 inverse agonists HOFFMANN-LA ROCHE INC. (US) 2008-06-10 US disclosed
EP-1807398-A1 NEW INDOLE OR BENZIMIDAZOLE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-07-18 EP disclosed
WO-2006045478-A1 NEW INDOLE OR BENZIMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-05-04 WO 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 (2 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 ALOX5AP 910/4885HDAC6 976/4885CNR2 2/4885
US-20080234290-A1 NEW INDOLE OR BENZIMIDAZOLE DERIVATIVES AS CB1 INVERSE AGONISTS CNR1, CNR2, GPR119 ALOX5AP 910/4885HDAC6 976/4885CNR2 2/4885

“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.