SCHEMBL4649749

SCHEMBL4649749

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

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 14/20 0.73
GPR52 Q9Y2T5 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
SYK P43405 1/20 0.45
THRB P10828 1/20 0.45
MAPT P10636 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC6 Q9UBN7 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
SCHEMBL14381794 0.88 CNR2 (0.56) CNR2LMNAPOLBSYKTHRB
SCHEMBL4650376 0.87 CNR2 (0.71) CNR2
SCHEMBL5080782 0.86 CNR2 (0.77) CNR2LMNAMAPT
SCHEMBL5212362 0.85 CNR2 (0.76) CNR2
SCHEMBL5212579 0.85 CNR2 (0.77) CNR2
SCHEMBL5215314 0.85 CNR2 (1.00) CNR2
SCHEMBL4649107 0.85 CNR2 (0.77) CNR2
SCHEMBL5213891 0.84 CNR2 (0.75) CNR2
SCHEMBL5214859 0.83 CNR2 (0.78) CNR2
SCHEMBL4649704 0.80 CNR2 (0.71) CNR2GPR52LMNA

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 1/4885GPR52 23/4885LMNA 4046/4885
US-20060240048-A1 Pyridine derivatives as cb2 receptor modulators CNR2, CNR1, TRPV1 CNR2 1/4885GPR52 25/4885LMNA 3910/4885

“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.