SCHEMBL4294604

SCHEMBL4294604

CC(C)(C)OC(=O)N(Cc1cc2c(cn1)OCCO2)C1CCN(CCn2c(=O)cc(OS(=O)(=O)C(F)(F)F)c3ccc(F)cc32)CC1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 12/20 0.42
NR1H4 Q96RI1 1/20 0.34
HTR2A P28223 5/20 0.34
CCR5 P51681 1/20 0.34

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
SCHEMBL4296642 0.88 KCNH2 (0.54) KCNH2NR1H4HTR2A
SCHEMBL4304741 0.86 KCNH2 (0.44) KCNH2NR1H4HTR2A
SCHEMBL4779527 0.86 KCNH2 (0.46) KCNH2NR1H4HTR2A
SCHEMBL4778673 0.85 KCNH2 (0.52) KCNH2NR1H4HTR2A
SCHEMBL4775750 0.83 KCNH2 (0.48) KCNH2NR1H4HTR2A
SCHEMBL4776019 0.83 KCNH2 (0.41) KCNH2NR1H4HTR2A
SCHEMBL10313895 0.82 KCNH2 (0.50) KCNH2
SCHEMBL2798612 0.82 UBE2M (0.41) NR1H4CCR5
SCHEMBL10313981 0.81 KCNH2 (0.45) KCNH2NR1H4HTR2A
SCHEMBL4297655 0.81 KCNH2 (0.51) KCNH2

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-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-1992628-A1 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2008-11-19 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-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES ETFA, NQO2, GNAQ KCNH2 2142/4885NR1H4 1758/4885HTR2A 3614/4885

“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.