SCHEMBL4649725

SCHEMBL4649725

CC(C)CNC(=O)c1cnc(Nc2ccc(Cl)cc2Cl)cc1C(C)C

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 16/20 0.71
CYP2C9 P11712 3/20 0.69
CYP2C19 P33261 3/20 0.69
CYP1A2 P05177 2/20 0.69
CYP3A4 P08684 2/20 0.69
CYP2D6 P10635 2/20 0.69
CNR1 P21554 1/20 0.49
ALDH1A1 P00352 1/20 0.45
ALOX12 P18054 1/20 0.45
ALPL P05186 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.44

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
SCHEMBL5214104 0.88 CNR2 (0.70) CNR2CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL14381958 0.87 CNR2 (0.56) CNR2CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL5213108 0.85 CNR2 (0.69) CNR2CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL4649620 0.84 CNR2 (0.62) CNR2CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL5451232 0.84 CNR2 (0.74) CNR2CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL5213862 0.84 CNR2 (0.85) CNR2CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL4906073 0.84 CNR2 (0.85) CNR2CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL5080718 0.83 CNR2 (0.83) CNR2CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL5216608 0.83 CNR2 (0.63) CNR2CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL5215314 0.83 CNR2 (1.00) CNR2CYP2C9CYP2C19CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080280868-A1 Pyridine Derivatives and Their Use as Cb2 Receptor Modulators GLAXO GROUP LIMITED (GB) 2008-11-13 US disclosed
US-20080280868-A1 Pyridine Derivatives and Their Use as Cb2 Receptor Modulators GLAXO GROUP LIMITED (GB) 2008-11-13 US disclosed
US-20080280868-A1 Pyridine Derivatives and Their Use as Cb2 Receptor Modulators GLAXO GROUP LIMITED (GB) 2008-11-13 US disclosed
EP-1718613-B1 PYRIDINE DERIVATIVES AND THEIR USE AS CB2 RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2008-09-03 EP disclosed
EP-1565442-B1 PYRIDINE DERIVATIVES AS CB2 RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2007-11-14 EP disclosed
US-20060240048-A1 Pyridine derivatives as cb2 receptor modulators GLAXO GROUP LIMITED (GB) 2006-10-26 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 (2 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-20080280868-A1 Pyridine Derivatives and Their Use as Cb2 Receptor Modulators CNR2, CNR1, TRPV1 CNR2 1/4885CYP2C9 606/4885CYP2C19 329/4885
US-20060240048-A1 Pyridine derivatives as cb2 receptor modulators CNR2, CNR1, TRPV1 CNR2 1/4885CYP2C9 1323/4885CYP2C19 761/4885

“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.