SCHEMBL4649720

SCHEMBL4649720

CC(=O)c1cnc(Cl)cc1C(C)C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.37
CYP1A2 P05177 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
MAPK1 P28482 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NNMT P40261 1/20 0.33
GAA P10253 1/20 0.33
NR3C1 P04150 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
SCHEMBL4649771 0.86 GABRA1 (0.40) CNR2KDM4ENPC1HPGDRAB9A
SCHEMBL16446984 0.83 CA12 (0.41) CNR2CYP1A2KDM4ENPC1HPGD
SCHEMBL7114118 0.78 POLB (0.44) CNR2SMN1; SMN2POLBGAA
SCHEMBL29562604 0.77 NNMT (0.43) CYP1A2KDM4ENPC1HPGDRAB9A
SCHEMBL13304188 0.77 NNMT (0.43) CYP1A2KDM4ENPC1HPGDRAB9A
SCHEMBL4649705 0.77 CNR2 (0.61) CNR2CYP1A2KDM4ENPC1HPGD
SCHEMBL23970881 0.76 GABRA1 (0.39) GABRA1GABRB1SMN1; SMN2ALDH1A1
SCHEMBL18864821 0.76 HTT (0.41) CYP1A2KDM4ENPC1HPGDRAB9A
SCHEMBL29881883 0.76 HTT (0.41) CYP1A2KDM4ENPC1HPGDRAB9A
SCHEMBL15713423 0.76 KCNQ3 (0.43) CYP1A2KDM4ENPC1HPGDRAB9A

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 6 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-A1 PYRIDINE DERIVATIVES AND THEIR USE AS CB2 RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2006-11-08 EP disclosed
WO-2005080342-A1 PYRIDINE DERIVATIVES AND THEIR USE AS CB2 RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2005-09-01 WO 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 306/4885KDM4E 2179/4885

“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.