SCHEMBL4649712

SCHEMBL4649712

CC(C)c1cc(Nc2cccc(C(F)(F)F)c2F)ncc1CN(C)C1CCC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.54
PIK3CA P42336 1/20 0.37
CCR4 P51679 3/20 0.36
ULK1 O75385 1/20 0.36
EGFR P00533 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SOS1 Q07889 2/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
EPHX2 P34913 1/20 0.34
ALDH1A1 P00352 1/20 0.33
ALOX5AP P20292 2/20 0.33
FEN1 P39748 2/20 0.33
SCN1A P35498 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN8A Q9UQD0 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL4649170 0.97 CNR2 (0.55) CNR2PIK3CACCR4ULK1EGFR
SCHEMBL4649715 0.83 CNR2 (0.61) CNR2PIK3CAULK1EGFREPHX2
Hydrochloric Acid SCHEMBL4649618 0.83 CNR2 (0.60) CNR2PIK3CAULK1EPHX2
SCHEMBL4649177 0.81 CNR2 (0.63) CNR2PIK3CAULK1
SCHEMBL4649736 0.81 CDK4 (0.38) CNR2PIK3CAEGFRSLC6A2SLC6A4
SCHEMBL14006010 0.79 CNR2 (0.61) CNR2PIK3CAULK1EGFRSOS1
SCHEMBL14005975 0.79 CNR2 (0.51) CNR2PIK3CAULK1EGFREPHX2
SCHEMBL4649780 0.78 CNR2 (0.37) CNR2SLC6A2SLC6A4SCN1ASCN5A
SCHEMBL4648963 0.78 KDM4E (0.46) CNR2EGFRALDH1A1
SCHEMBL4649631 0.77 CNR2 (0.56) CNR2PIK3CAEGFR

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 2 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
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 1/4885PIK3CA 561/4885CCR4 1534/4885

“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.