SCHEMBL3085599

SCHEMBL3085599

C=CCC(Oc1ccccc1)C(=O)Cl

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.45
PPARG P37231 18/20 0.44
PPARA Q07869 17/20 0.44

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
SCHEMBL585488 0.86 PPARG (0.53) CYP2C19PPARGPPARA
SCHEMBL3312435 0.83 CYP2C19 (0.45) CYP2C19PPARGPPARA
SCHEMBL11667295 0.83 CYP2C19 (0.45) CYP2C19PPARGPPARA
SCHEMBL1326852 0.82 CYP2C19 (0.44) CYP2C19PPARGPPARA
SCHEMBL7329105 0.81 TSHR (0.44) CYP2C19PPARGPPARA
SCHEMBL3312014 0.81 CYP2C19 (0.42) CYP2C19PPARGPPARA
SCHEMBL2884339 0.77 ALDH1A1 (0.52) PPARGPPARA
SCHEMBL10592431 0.74 MEN1 (0.38) CYP2C19PPARGPPARA
SCHEMBL11115583 0.73 CYP2C19 (0.45) CYP2C19PPARGPPARA
SCHEMBL8089903 0.73 CYP2C19 (0.39) CYP2C19PPARGPPARA

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 CYP2C19 259/4885PPARG 76/4885PPARA 142/4885
US-20080234290-A1 NEW INDOLE OR BENZIMIDAZOLE DERIVATIVES AS CB1 INVERSE AGONISTS CNR1, CNR2, GPR119 CYP2C19 259/4885PPARG 76/4885PPARA 142/4885

“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.