SCHEMBL3370137

SCHEMBL3370137

CC(NC(=O)C(C)(C)Oc1ccc(C(F)(F)F)cn1)C(Cc1ccc(Cl)cc1)c1cc(F)cc(Br)c1

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 20/20 0.81
CNR2 P34972 6/20 0.75
CYP2D6 P10635 1/20 0.69
CYP2C9 P11712 1/20 0.69
KCNH2 Q12809 1/20 0.69

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
SCHEMBL3371233 0.94 CNR1 (0.72) CNR1CNR2CYP2D6CYP2C9KCNH2
SCHEMBL3371894 0.90 CNR1 (0.83) CNR1CNR2CYP2D6CYP2C9KCNH2
SCHEMBL3371991 0.90 CNR1 (1.00) CNR1CNR2CYP2D6CYP2C9KCNH2
SCHEMBL3374600 0.89 CNR1 (0.84) CNR1CNR2CYP2D6CYP2C9KCNH2
SCHEMBL3369671 0.89 CNR1 (0.78) CNR1CNR2CYP2D6CYP2C9KCNH2
SCHEMBL3371821 0.89 CNR1 (0.85) CNR1CNR2CYP2D6CYP2C9KCNH2
SCHEMBL13140599 0.86 CNR1 (1.00) CNR1CNR2CYP2D6CYP2C9KCNH2
SCHEMBL3085701 0.86 CNR1 (1.00) CNR1CNR2CYP2D6CYP2C9KCNH2
SCHEMBL2655463 0.86 CNR1 (1.00) CNR1CNR2CYP2D6CYP2C9KCNH2
SCHEMBL13114241 0.86 CNR1 (1.00) 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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7816534-B2 Substituted amides MERCK SHARP & DOHME CORP. (US) 2010-10-19 US disclosed
US-7816534-B2 Substituted amides MERCK SHARP & DOHME CORP. (US) 2010-10-19 US disclosed
US-20090258884-A1 Substituted amides MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-20090258884-A1 Substituted amides MERCK SHARP & DOHME CORP. 2009-10-15 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-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
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 (4 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 2/4885CYP2D6 1591/4885
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-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.