SCHEMBL3843908

SCHEMBL3843908

CC(C)(C)OC(=O)NC1CCN(CCn2c(=O)cc(OS(=O)(=O)C(F)(F)F)c3ccc(F)cc32)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.43
CCR5 P51681 1/20 0.41
PLK1 P53350 1/20 0.38
BRD4 O60885 1/20 0.38
HTR7 P34969 1/20 0.38
NPY5R Q15761 1/20 0.38
CNR2 P34972 2/20 0.37
CNR1 P21554 1/20 0.37
PARP1 P09874 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
RORC P51449 2/20 0.36
USP14 P54578 1/20 0.36
DDR1 Q08345 1/20 0.36
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
HTR2A P28223 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
SCHEMBL4779531 0.88 KCNA3 (0.44) KCNA3PLK1BRD4HTR7NPY5R
SCHEMBL3859391 0.85 KCNA3 (0.42) KCNA3PLK1BRD4HTR7NPY5R
SCHEMBL4302247 0.82 KCNA3 (0.49) KCNA3PLK1BRD4NPY5RCNR2
SCHEMBL4301542 0.79 CNR2 (0.45) CNR2DRD3
SCHEMBL12002142 0.77 KCNH2 (0.49) KCNA3NPY5R
SCHEMBL4300063 0.76 CNR2 (0.48) CNR2CNR1DRD2DRD3HTR2A
SCHEMBL4294604 0.76 KCNH2 (0.42) CCR5HTR2A
SCHEMBL3839979 0.76 MCHR1 (0.44) CNR2DRD2DRD3HTR2A
SCHEMBL27780828 0.75 DRD2 (0.40) PLK1DRD2DRD3
SCHEMBL5021645 0.74 KCNH2 (0.55) KCNA3

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-8071592-B2 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2011-12-06 US disclosed
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2009-10-29 US disclosed
EP-2044077-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES Glaxo Group Limited (GB) 2009-04-08 EP disclosed
EP-1992628-A1 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2008-11-19 EP disclosed
WO-2008009700-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2008-01-24 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-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES ETFA, NQO2, GNAQ KCNA3 1771/4885CCR5 2505/4885PLK1 1709/4885

“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.