SCHEMBL3076369

SCHEMBL3076369

C[C@H](NC(=O)C(C)(C)Oc1cc(C(F)(F)F)ccn1)[C@@H](Cc1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 20/20 0.77
CNR2 P34972 11/20 0.77

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
SCHEMBL13114254 1.00 CNR1 (0.77) CNR1CNR2
SCHEMBL1897093 1.00 CNR1 (0.77) CNR1CNR2
SCHEMBL3374983 0.92 CNR1 (0.71) CNR1CNR2
SCHEMBL3371148 0.89 CNR1 (0.64) CNR1CNR2
SCHEMBL3374861 0.87 CNR1 (0.67) CNR1CNR2
SCHEMBL2655463 0.87 CNR1 (1.00) CNR1CNR2
SCHEMBL13140599 0.87 CNR1 (1.00) CNR1CNR2
SCHEMBL3085701 0.87 CNR1 (1.00) CNR1CNR2
SCHEMBL13114241 0.87 CNR1 (1.00) CNR1CNR2
SCHEMBL1897698 0.86 CNR1 (1.00) CNR1CNR2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1496838-A4 SUBSTITUTED AMIDES MERCK & CO INC (US) 2008-07-02 EP claimed
EP-1496838-A2 SUBSTITUTED AMIDES Merck & Co., Inc. (US) 2005-01-19 EP 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
EP-1496838-B1 SUBSTITUTED AMIDES MERCK SHARP & DOHME (US) 2010-11-03 EP disclosed
US-7816534-B2 Substituted amides MERCK SHARP & DOHME CORP. (US) 2010-10-19 US disclosed
US-20100227844-A1 CANNABINOID-1 RECEPTOR MODULATORS USEFUL FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME CORP. 2010-09-09 US disclosed
US-20100227844-A1 CANNABINOID-1 RECEPTOR MODULATORS USEFUL FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME CORP. 2010-09-09 US disclosed
US-20100227844-A1 CANNABINOID-1 RECEPTOR MODULATORS USEFUL FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME CORP. 2010-09-09 US disclosed
US-20090258884-A1 Substituted amides MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-7550489-B2 Substituted pyridyoxy amides MERCK & CO., INC. (US) 2009-06-23 US disclosed
US-7550489-B2 Substituted pyridyoxy amides MERCK & CO., INC. (US) 2009-06-23 US disclosed
US-20080171692-A1 Substituted amides MERCK SHARP & DOHME CORP. 2008-07-17 US disclosed
US-20080171692-A1 Substituted amides MERCK SHARP & DOHME CORP. 2008-07-17 US disclosed
EP-1496838-A4 SUBSTITUTED AMIDES MERCK & CO INC (US) 2008-07-02 EP disclosed
US-6972295-B2 Substituted amides MERCK & CO., INC. (US) 2005-12-06 US disclosed
US-20050234061-A1 Substituted amides MERCK SHARP & DOHME CORP. 2005-10-20 US disclosed
EP-1496838-A2 SUBSTITUTED AMIDES Merck & Co., Inc. (US) 2005-01-19 EP 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 (5 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-20080171692-A1 Substituted amides CNR1, CNR2, FAAH CNR1 1/4885CNR2 2/4885
US-20100227844-A1 CANNABINOID-1 RECEPTOR MODULATORS USEFUL FOR THE TREATMENT OF ALZHEIMER'S DISEASE CNR1, CNR2, GPR18 CNR1 1/4885CNR2 2/4885
US-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis CNR1, CNR2, MAG CNR1 1/4885CNR2 2/4885
US-20090258884-A1 Substituted amides CNR1, CNR2, FAAH CNR1 1/4885CNR2 2/4885
US-20050234061-A1 Substituted amides CNR1, CNR2, FAAH CNR1 1/4885CNR2 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.