SCHEMBL1900604

SCHEMBL1900604

CC(NC(=O)C(C)(C)Oc1ccc(Cl)cn1)C(Cc1ccc(Cl)cc1)c1ccsc1

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 20/20 0.77
CNR2 P34972 11/20 0.77
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
KCNH2 Q12809 1/20 0.57

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
SCHEMBL1898233 0.87 CNR1 (1.00) CNR1CNR2
SCHEMBL13894033 0.87 CNR1 (1.00) CNR1CNR2
SCHEMBL13114227 0.87 CNR1 (1.00) CNR1CNR2
SCHEMBL3079318 0.87 CNR1 (1.00) CNR1CNR2
SCHEMBL3369569 0.84 CNR1 (0.84) CNR1CNR2CYP2D6CYP2C9KCNH2
SCHEMBL13114457 0.84 CNR1 (0.74) CNR1CNR2CYP2D6CYP2C9KCNH2
SCHEMBL2655813 0.83 CNR1 (0.52) CNR1CNR2CYP2D6CYP2C9KCNH2
SCHEMBL3374159 0.82 CNR1 (0.80) CNR1CNR2CYP2D6CYP2C9KCNH2
SCHEMBL3372105 0.82 CNR1 (0.85) CNR1CNR2CYP2D6CYP2C9KCNH2
SCHEMBL2654575 0.81 CNR1 (0.50) 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 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1496838-B1 SUBSTITUTED AMIDES MERCK SHARP & DOHME (US) 2010-11-03 EP claimed
US-7816534-B2 Substituted amides MERCK SHARP & DOHME CORP. (US) 2010-10-19 US claimed
US-20100227844-A1 CANNABINOID-1 RECEPTOR MODULATORS USEFUL FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME CORP. 2010-09-09 US claimed
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-20090258884-A1 Substituted amides MERCK SHARP & DOHME CORP. 2009-10-15 US claimed
EP-1879582-A4 COMBINATION OF DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND A CANNABINOID CB1 RECEPTOR ANTAGONIST FOR THE TREATMENT OF DIABETES AND OBESITY MERCK & CO INC (US) 2009-05-13 EP claimed
WO-2009054929-A1 CANNABINOID-1 RECEPTOR MODULATORS USEFUL FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2009-04-30 WO claimed
EP-1496838-A4 SUBSTITUTED AMIDES MERCK & CO INC (US) 2008-07-02 EP claimed
EP-1879582-A2 COMBINATION OF DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND A CANNABINOID CB1 RECEPTOR ANTAGONIST FOR THE TREATMENT OF DIABETES AND OBESITY Merck & Co., Inc. (US) 2008-01-23 EP claimed
US-20060270650-A1 Combination therapy for the treatment of obesity MACNEIL TANYA 2006-11-30 US claimed
WO-2006119260-A2 COMBINATION OF DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND A CANNABINOID CB1 RECEPTOR ANTAGONIST FOR THE TREATMENT OF DIABETES AND OBESITY MERCK & CO., INC. (US) 2006-11-09 WO claimed
US-20050234061-A1 Substituted amides MERCK SHARP & DOHME CORP. 2005-10-20 US claimed
EP-1496838-A2 SUBSTITUTED AMIDES Merck & Co., Inc. (US) 2005-01-19 EP claimed
WO-2004048317-A1 SUBSTITUTED AMIDES ACTIVE AT THE CANNABINOID-1 RECEPTOR MERCK & CO., INC. (US) 2004-06-10 WO claimed
US-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis MERCK SHARP & DOHME LLC 2004-03-25 US claimed
WO-2003077847-A2 SUBSTITUTED AMIDES MERCK & CO., INC. (US) 2003-09-25 WO claimed
US-7989472-B2 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2011-08-02 US disclosed
US-7935713-B2 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2011-05-03 US disclosed
US-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis MERCK SHARP & DOHME LLC 2004-03-25 US disclosed
WO-2003077847-A2 SUBSTITUTED AMIDES MERCK & CO., INC. (US) 2003-09-25 WO 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 (6 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-20100227844-A1 CANNABINOID-1 RECEPTOR MODULATORS USEFUL FOR THE TREATMENT OF ALZHEIMER'S DISEASE CNR1, CNR2, GPR18 CNR1 1/4885CNR2 2/4885CYP2D6 3482/4885
US-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis CNR1, CNR2, MAG CNR1 1/4885CNR2 2/4885CYP2D6 1749/4885
US-20090258884-A1 Substituted amides CNR1, CNR2, FAAH CNR1 1/4885CNR2 2/4885CYP2D6 1591/4885
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
US-20050234061-A1 Substituted amides CNR1, CNR2, FAAH CNR1 1/4885CNR2 2/4885CYP2D6 1591/4885

“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.