SCHEMBL4082536

SCHEMBL4082536

COC(=O)C(Cc1ccccc1)NC(=O)N1CC(OC(c2ccc(Cl)cc2)c2ccccc2C(F)(F)F)C1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
GAA P10253 1/20 0.48
FAAH O00519 8/20 0.46
CNR1 P21554 3/20 0.46
CNR2 P34972 2/20 0.46
POLB P06746 1/20 0.46
GFER P55789 1/20 0.46
KDM4E B2RXH2 1/20 0.45
NOS2 P35228 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL4078543 0.94 FAAH (0.45) CYP3A4CYP2D6CYP2C9CYP2C19GAA
SCHEMBL4088616 0.84 CNR1 (0.62) CYP2C19FAAHCNR1CNR2
SCHEMBL29574408 0.84 CNR1 (0.62) CYP2C19FAAHCNR1CNR2
SCHEMBL4080236 0.84 CNR1 (0.55) FAAHCNR1CNR2
SCHEMBL4089341 0.83 CNR1 (0.52) FAAHCNR1CNR2
SCHEMBL29574730 0.83 CNR1 (0.52) FAAHCNR1CNR2
SCHEMBL4082480 0.82 FAAH (0.48) CYP3A4CYP2D6CYP2C9CYP2C19GAA
SCHEMBL4403802 0.82 CNR1 (0.47) FAAHCNR1CNR2
SCHEMBL4083772 0.82 FAAH (0.49) FAAHCNR1CNR2
Selonabant SCHEMBL4075536 0.81 CNR1 (0.49) FAAHCNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1620395-B1 AZETIDINECARBOXAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CB1 RECEPTOR MEDIATED DISORDERS VERNALIS RES LTD (GB) 2009-12-30 EP disclosed
US-7504522-B2 Azetidinecarboxamide derivatives and their use in the treatment of cb1 receptor mediated disorders VERNALIS RESEARCH LIMITED (GB) 2009-03-17 US disclosed
US-20070054891-A1 Azetidinecarboxamide derivatives and their use in the treatment of cb1 receptor mediated disorders VERNALIS RESEARCH LIMAITED (GB) 2007-03-08 US disclosed
EP-1620395-A1 AZETIDINECARBOXAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CB1 RECEPTOR MEDIATED DISORDERS VERNALIS RESEARCH LIMITED (GB) 2006-02-01 EP disclosed
WO-2004096763-A1 AZETIDINECARBOXAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CB1 RECEPTOR MEDIATED DISORDERS VERNALIS RESEARCH LIMITED (GB) 2004-11-11 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-20070054891-A1 Azetidinecarboxamide derivatives and their use in the treatment of cb1 receptor mediated disorders CNR1, CNR2, GPR119 CYP3A4 814/4885CYP2D6 473/4885CYP2C9 170/4885

“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.