SCHEMBL4648945

SCHEMBL4648945

CC(C)c1cc(Nc2cccc(Br)c2)ncc1C(=O)NCC1CCC1

nearest known ligand 0.85

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 20/20 0.85
CYP1A2 P05177 2/20 0.62
CYP2D6 P10635 2/20 0.62
CYP2C9 P11712 2/20 0.62
CYP2C19 P33261 2/20 0.62
CYP3A4 P08684 1/20 0.54

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
SCHEMBL5213666 0.98 CNR2 (0.85) CNR2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5083316 0.97 CNR2 (0.83) CNR2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5214247 0.92 CNR2 (1.00) CNR2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL4648518 0.90 CNR2 (1.00) CNR2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5214894 0.89 CNR2 (0.81) CNR2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL4649718 0.89 CNR2 (0.96) CNR2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5213313 0.88 CNR2 (0.96) CNR2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5213034 0.87 CNR2 (0.85) CNR2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5249738 0.87 CNR2 (0.81) CNR2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5214327 0.87 CNR2 (0.80) CNR2CYP1A2CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1565442-B1 PYRIDINE DERIVATIVES AS CB2 RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2007-11-14 EP claimed
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 1/4885CYP1A2 306/4885CYP2D6 395/4885
US-20060240048-A1 Pyridine derivatives as cb2 receptor modulators CNR2, CNR1, TRPV1 CNR2 1/4885CYP1A2 793/4885CYP2D6 872/4885

“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.