SCHEMBL4649715

SCHEMBL4649715

CC(C)c1cc(Nc2cccc(C(F)(F)F)c2F)ncc1CNCC1CCC1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 14/20 0.61
PIK3CA P42336 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
EPHX2 P34913 2/20 0.35
ULK1 O75385 1/20 0.35
EGFR P00533 1/20 0.34
NPY1R P25929 1/20 0.34
NPY5R Q15761 1/20 0.34

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
Hydrochloric Acid SCHEMBL4649618 0.99 CNR2 (0.60) CNR2PIK3CACYP1A2CYP3A4CYP2D6
SCHEMBL4649177 0.96 CNR2 (0.63) CNR2PIK3CACYP1A2CYP3A4CYP2D6
SCHEMBL14065255 0.87 CNR2 (0.48) CNR2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14006010 0.85 CNR2 (0.61) CNR2PIK3CACYP1A2CYP3A4CYP2D6
SCHEMBL14005975 0.85 CNR2 (0.51) CNR2PIK3CAEPHX2ULK1EGFR
SCHEMBL4649712 0.83 CNR2 (0.54) CNR2PIK3CAEPHX2ULK1EGFR
SCHEMBL4649690 0.83 CNR2 (0.86) CNR2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5213799 0.81 CNR2 (0.86) CNR2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4649170 0.80 CNR2 (0.55) CNR2PIK3CAEPHX2ULK1EGFR
SCHEMBL4649737 0.80 CNR2 (0.42) CNR2PIK3CACYP1A2CYP3A4CYP2D6

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 1/4885PIK3CA 561/4885CYP1A2 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.