SCHEMBL4649776

SCHEMBL4649776

CC(C)c1cc(Nc2ccc(Cl)c(Cl)c2)ncc1CNCC1CCC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 15/20 0.50
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
EPHA2 P29317 1/20 0.37
KDR P35968 1/20 0.37
EPHB4 P54760 1/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
KMO O15229 1/20 0.36

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
SCHEMBL4649785 0.91 CNR2 (0.50) CNR2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4649082 0.88 CNR2 (0.47) CNR2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4649635 0.87 CNR2 (0.66) CNR2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4650389 0.87 CNR2 (0.47) CNR2CYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL4649300 0.86 CNR2 (0.65) CNR2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4649626 0.85 CNR2 (0.49) CNR2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4649619 0.85 CNR2 (0.69) CNR2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4649632 0.84 CNR2 (0.68) CNR2
SCHEMBL4649716 0.83 CNR2 (0.58) CNR2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL4649694 0.83 CNR2 (0.58) CNR2CYP1A2CYP3A4CYP2D6CYP2C9

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 1/4885CYP1A2 306/4885CYP3A4 679/4885

“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.