SCHEMBL4825610

SCHEMBL4825610

CC(NC(=O)C1(c2ccccc2)CCCO1)C(Cc1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 3/20 0.56
ITGA4 P13612 3/20 0.56
ITGB7 P26010 3/20 0.56
CNR1 P21554 16/20 0.51
CNR2 P34972 10/20 0.51
FDFT1 P37268 1/20 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
SCHEMBL14064712 0.82 CNR1 (0.55) CNR1CNR2FDFT1
SCHEMBL4829829 0.82 CNR1 (0.55) CNR1CNR2FDFT1
SCHEMBL4831420 0.82 CNR1 (0.55) CNR1CNR2FDFT1
SCHEMBL4830008 0.82 CNR1 (0.57) CNR1CNR2FDFT1
SCHEMBL4825568 0.80 CNR1 (0.50) ITGB1ITGA4ITGB7CNR1CNR2
SCHEMBL14064692 0.80 CNR1 (0.50) ITGB1ITGA4ITGB7CNR1CNR2
SCHEMBL5201238 0.80 ITGB1 (0.45) ITGB1ITGA4ITGB7CNR1
SCHEMBL4829758 0.77 CNR1 (0.55) CNR1CNR2
SCHEMBL4825699 0.76 CNR1 (0.61) ITGA4ITGB7CNR1CNR2
SCHEMBL4823270 0.76 CNR1 (0.58) ITGA4ITGB7CNR1CNR2

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-1490043-A4 SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO INC (US) 2007-05-30 EP claimed
US-20050239828-A1 Spirocyclic amides as cannabinoid receptor modulators MERCK & CO., INC. (US) 2005-10-27 US claimed
EP-1490043-A2 SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS Merck & Co., Inc. (US) 2004-12-29 EP claimed
WO-2003082190-A2 SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-10-09 WO 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-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-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
EP-1490043-A4 SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO INC (US) 2007-05-30 EP disclosed
US-20050239828-A1 Spirocyclic amides as cannabinoid receptor modulators MERCK & CO., INC. (US) 2005-10-27 US disclosed
EP-1490043-A2 SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS Merck & Co., Inc. (US) 2004-12-29 EP disclosed
WO-2003082190-A2 SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-10-09 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-20050239828-A1 Spirocyclic amides as cannabinoid receptor modulators CNR1, CNR2, MAG ITGB1 2131/4885ITGA4 3437/4885ITGB7 3710/4885

“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.