SCHEMBL14006010

SCHEMBL14006010

CC(C)c1cc(Nc2cccc(C(F)(F)F)c2F)ncc1C(C)NCC1CCC1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 15/20 0.61
PIK3CA P42336 1/20 0.37
ULK1 O75385 1/20 0.36
EGFR P00533 1/20 0.35
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 1/20 0.34
SOS1 Q07889 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
SCHEMBL4649715 0.85 CNR2 (0.61) CNR2PIK3CAULK1EGFRCYP1A2
Hydrochloric Acid SCHEMBL4649618 0.84 CNR2 (0.60) CNR2PIK3CAULK1CYP1A2CYP3A4
SCHEMBL4649690 0.83 CNR2 (0.86) CNR2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5213799 0.81 CNR2 (0.86) CNR2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4649177 0.81 CNR2 (0.63) CNR2PIK3CAULK1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL4695017 0.80 CNR2 (0.45) CNR2ULK1EGFREPHX2SOS1
SCHEMBL4649712 0.79 CNR2 (0.54) CNR2PIK3CAULK1EGFREPHX2
SCHEMBL4649170 0.76 CNR2 (0.55) CNR2PIK3CAULK1EGFREPHX2
SCHEMBL5213472 0.76 CNR2 (1.00) CNR2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14005975 0.73 CNR2 (0.51) CNR2PIK3CAULK1EGFREPHX2

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
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

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 561/4885ULK1 1154/4885

“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.