SCHEMBL4649737

SCHEMBL4649737

CC(C)c1cc(Nc2ccc(F)cc2F)ncc1CNCC1CCC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.42
CYP2D6 P10635 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CNR1 P21554 1/20 0.36
CDK4 P11802 1/20 0.35
CDK2 P24941 1/20 0.35
TGFBR1 P36897 1/20 0.35
TGFBR2 P37173 1/20 0.35
RECQL P46063 1/20 0.35
GAA P10253 1/20 0.34
POLB P06746 1/20 0.34
PIK3CA P42336 1/20 0.34
PRKDC P78527 1/20 0.34
KCNH2 Q12809 1/20 0.33
GRIN2B Q13224 1/20 0.33

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
SCHEMBL4649756 0.90 CNR2 (0.48) CNR2CYP2D6CYP1A2CYP3A4CYP2C9
SCHEMBL4649109 0.90 CNR2 (0.48) CNR2CYP2D6CYP1A2CYP3A4CYP2C9
SCHEMBL14005950 0.84 CNR2 (0.43) CNR2CYP2D6CYP1A2CYP3A4CYP2C9
SCHEMBL4649781 0.83 CNR2 (0.46) CNR2CYP2D6CYP1A2CYP3A4CYP2C9
SCHEMBL4649694 0.82 CNR2 (0.58) CNR2CYP2D6CYP1A2CYP3A4CYP2C9
SCHEMBL14065255 0.82 CNR2 (0.48) CNR2CYP2D6CYP1A2CYP3A4CYP2C9
SCHEMBL4650302 0.82 CNR2 (0.64) CNR2CYP2D6CYP1A2CYP3A4CYP2C9
SCHEMBL14005930 0.81 CNR2 (0.49) CNR2CYP2D6CYP1A2CYP3A4CYP2C9
SCHEMBL4649736 0.81 CDK4 (0.38) CNR2CYP2D6CYP1A2CYP3A4CYP2C9
SCHEMBL4649785 0.80 CNR2 (0.50) CNR2CYP2D6CYP1A2CYP3A4CYP2C9

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
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-1718613-B1 PYRIDINE DERIVATIVES AND THEIR USE AS CB2 RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2008-09-03 EP 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-20080280868-A1 Pyridine Derivatives and Their Use as Cb2 Receptor Modulators CNR2, CNR1, TRPV1 CNR2 1/4885CYP2D6 395/4885CYP1A2 306/4885

“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.