SCHEMBL3519984

SCHEMBL3519984

CC(NC(=O)C1(C)CCc2ccccc2O1)C(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 2/20 0.46
CNR1 P21554 18/20 0.46
CNR2 P34972 11/20 0.46

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
SCHEMBL3527393 0.97 CNR1 (0.49) FDFT1CNR1CNR2
SCHEMBL3574744 0.90 FDFT1 (0.47) FDFT1CNR1CNR2
SCHEMBL3531996 0.87 CNR1 (0.51) FDFT1CNR1CNR2
SCHEMBL3518671 0.84 FDFT1 (0.47) FDFT1CNR1CNR2
SCHEMBL5480925 0.81 PPARA (0.36)
SCHEMBL3518813 0.81 CNR1 (0.51) FDFT1CNR1CNR2
SCHEMBL3518809 0.81 CNR1 (0.51) FDFT1CNR1CNR2
SCHEMBL3520706 0.81 FDFT1 (0.48) FDFT1CNR1CNR2
SCHEMBL3518779 0.78 FDFT1 (0.46) FDFT1CNR1CNR2
SCHEMBL3527045 0.78 CNR1 (0.52) FDFT1CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1499306-A4 BICYCLIC AMIDES MERCK & CO INC (US) 2007-03-28 EP claimed
US-20050203112-A1 Bicyclic amides MERCK SHARP & DOHME CORP. 2005-09-15 US claimed
EP-1499306-A2 BICYCLIC AMIDES Merck & Co., Inc. (US) 2005-01-26 EP claimed
WO-2003086288-A2 BICYCLIC AMIDES MERCK & CO., INC. (US) 2003-10-23 WO claimed
US-7667053-B2 Cannabinoid-1 (CB1) receptor antagonists and/or inverse agonists; e.g. N-(2,3-bis(4-chlorophenyl)-1-methylpropyl)-1,4-benzodioxane-2-carboxamide; psychological disorders, eating disorders MERCK & CO., INC. (US) 2010-02-23 US disclosed
US-7667053-B2 Cannabinoid-1 (CB1) receptor antagonists and/or inverse agonists; e.g. N-(2,3-bis(4-chlorophenyl)-1-methylpropyl)-1,4-benzodioxane-2-carboxamide; psychological disorders, eating disorders MERCK & CO., INC. (US) 2010-02-23 US disclosed
US-7667053-B2 Cannabinoid-1 (CB1) receptor antagonists and/or inverse agonists; e.g. N-(2,3-bis(4-chlorophenyl)-1-methylpropyl)-1,4-benzodioxane-2-carboxamide; psychological disorders, eating disorders MERCK & CO., INC. (US) 2010-02-23 US disclosed
EP-1499306-A4 BICYCLIC AMIDES MERCK & CO INC (US) 2007-03-28 EP disclosed
US-20050203112-A1 Bicyclic amides MERCK SHARP & DOHME CORP. 2005-09-15 US disclosed
EP-1499306-A2 BICYCLIC AMIDES Merck & Co., Inc. (US) 2005-01-26 EP disclosed
WO-2003086288-A2 BICYCLIC AMIDES MERCK & CO., INC. (US) 2003-10-23 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 (1 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-20050203112-A1 Bicyclic amides CNR1, CNR2, FAAH FDFT1 2843/4885CNR1 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.