SCHEMBL1829124

SCHEMBL1829124

CC(COc1ccc(C(F)(F)F)cn1)C(=O)N[C@@H](C)[C@@H](Cc1ccc(Cl)cc1)c1cccc(C#N)c1

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 20/20 0.76
CNR2 P34972 15/20 0.76
CYP2D6 P10635 1/20 0.76
CYP2C9 P11712 1/20 0.76
KCNH2 Q12809 1/20 0.76
CYP3A4 P08684 1/20 0.68

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
Taranabant SCHEMBL4024243 0.86 CNR1 (1.00) CNR1CNR2CYP2D6CYP2C9KCNH2
Taranabant SCHEMBL501972 0.86 CNR1 (1.00) CNR1CNR2CYP2D6CYP2C9KCNH2
Taranabant SCHEMBL17565778 0.86 CNR1 (1.00) CNR1CNR2CYP2D6CYP2C9KCNH2
Taranabant SCHEMBL29434856 0.86 CNR1 (1.00) CNR1CNR2CYP2D6CYP2C9KCNH2
Taranabant SCHEMBL304925 0.86 CNR1 (1.00) CNR1CNR2CYP2D6CYP2C9KCNH2
Taranabant SCHEMBL13253294 0.86 CNR1 (1.00) CNR1CNR2CYP2D6CYP2C9KCNH2
Taranabant SCHEMBL13253304 0.86 CNR1 (1.00) CNR1CNR2CYP2D6CYP2C9KCNH2
SCHEMBL2246652 0.85 CNR1 (0.62) CNR1CNR2CYP2D6CYP2C9KCNH2
SCHEMBL3474367 0.81 CNR1 (0.90) CNR1CNR2CYP2D6CYP2C9KCNH2
SCHEMBL3474366 0.81 CNR1 (0.90) CNR1CNR2CYP2D6CYP2C9KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306037-A1 Combination of a Dipeptidyl Peptidase-IV Inhibitor and a Cannabinoid CB1 Receptor Antagonist for the Treatment of Diabetes and Obesity MERCK & CO., INC. (US) 2009-12-10 US claimed
US-20060270650-A1 Combination therapy for the treatment of obesity MACNEIL TANYA 2006-11-30 US claimed
EP-1910375-B1 SPIROCHROMANONE DERIVATIVES AS ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS MERCK SHARP & DOHME (US) 2011-05-11 EP disclosed
US-20090306037-A1 Combination of a Dipeptidyl Peptidase-IV Inhibitor and a Cannabinoid CB1 Receptor Antagonist for the Treatment of Diabetes and Obesity MERCK & CO., INC. (US) 2009-12-10 US disclosed
US-20060270650-A1 Combination therapy for the treatment of obesity MACNEIL TANYA 2006-11-30 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-20090306037-A1 Combination of a Dipeptidyl Peptidase-IV Inhibitor and a Cannabinoid CB1 Receptor Antagonist for the Treatment of Diabetes and Obesity DPP4, DPP3, DPP7 CNR1 6/4885CNR2 10/4885CYP2D6 831/4885
US-20060270650-A1 Combination therapy for the treatment of obesity GPR119, GANC, GANAB CNR1 385/4885CNR2 281/4885CYP2D6 4112/4885

“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.