SCHEMBL4649716

SCHEMBL4649716

CC(C)c1cc(Nc2cccc(Br)c2)ncc1CNCC1CCC1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.58
PRKCQ Q04759 4/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
EGFR P00533 1/20 0.39
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38

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 SCHEMBL4909899 0.99 CNR2 (0.57) CNR2PRKCQCYP1A2CYP2D6CYP2C9
SCHEMBL4649632 0.89 CNR2 (0.68) CNR2EGFR
SCHEMBL4649635 0.88 CNR2 (0.66) CNR2CYP1A2CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL4649300 0.87 CNR2 (0.65) CNR2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL4649619 0.86 CNR2 (0.69) CNR2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL4650473 0.84 CNR2 (0.63) CNR2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL4648684 0.83 CNR2 (0.47) CNR2PRKCQEGFR
SCHEMBL4649776 0.83 CNR2 (0.50) CNR2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL4648945 0.82 CNR2 (0.85) CNR2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL4649781 0.81 CNR2 (0.46) CNR2CYP1A2CYP2D6CYP2C9CYP2C19

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 4 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

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 1/4885PRKCQ 882/4885CYP1A2 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.