SCHEMBL5212199

SCHEMBL5212199

CC(C)CNC(=O)c1cnc(Nc2cccc(Br)c2)cc1C(F)(F)F

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 15/20 0.70
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
IRAK4 Q9NWZ3 3/20 0.44
EGFR P00533 1/20 0.43
PDE4A P27815 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL5216312 0.89 CNR2 (0.65) CNR2IRAK4
SCHEMBL5213870 0.89 CNR2 (0.56) CNR2IRAK4
SCHEMBL5213789 0.88 CNR2 (0.73) CNR2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL4649107 0.85 CNR2 (0.77) CNR2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5215465 0.83 CNR2 (0.72) CNR2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5215892 0.83 CNR2 (0.55) CNR2CYP1A2IRAK4
SCHEMBL5448657 0.82 CNR2 (1.00) CNR2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5457565 0.82 CNR2 (0.70) CNR2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5212681 0.82 CNR2 (0.75) CNR2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5212684 0.82 CNR2 (0.78) 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 3 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
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 (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-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.