SCHEMBL4831291

SCHEMBL4831291

CC(NC(=O)C1(Cc2ccccc2)CCC1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(C#N)c1

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 20/20 0.71
CNR2 P34972 16/20 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
SCHEMBL14064721 1.00 CNR1 (0.71) CNR1CNR2
SCHEMBL4829916 0.91 CNR1 (0.69) CNR1CNR2
SCHEMBL14064719 0.91 CNR1 (0.69) CNR1CNR2
SCHEMBL14064720 0.89 CNR1 (0.64) CNR1CNR2
SCHEMBL4825690 0.89 CNR1 (0.64) CNR1CNR2
SCHEMBL14064713 0.88 CNR1 (0.69) CNR1CNR2
SCHEMBL4827948 0.88 CNR1 (0.69) CNR1CNR2
SCHEMBL4825558 0.88 CNR1 (0.69) CNR1CNR2
SCHEMBL14064717 0.87 CNR1 (0.68) CNR1CNR2
SCHEMBL4825589 0.87 CNR1 (0.68) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050239828-A1 Spirocyclic amides as cannabinoid receptor modulators MERCK & CO., INC. (US) 2005-10-27 US claimed
US-7423067-B2 N-(3,4-diphenyl-2-butyl)cyclopentancarboxamide derivatives such as N-(2,3-bis(4-chlorophenyl)-1-methylpropyl)-3-benzoyl-cyclopentane-carboxamide; used for treating conditions including psychological disorders, eating disorders and substance abuse MERCK & CO., INC. (US) 2008-09-09 US disclosed
US-20050239828-A1 Spirocyclic amides as cannabinoid receptor modulators MERCK & CO., INC. (US) 2005-10-27 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 (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-20050239828-A1 Spirocyclic amides as cannabinoid receptor modulators CNR1, CNR2, MAG 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.