SCHEMBL4064105

SCHEMBL4064105

COc1ccc2nccc(N3CCC(O)(CCNC(=O)C(F)(F)F)CC3)c2n1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP8B1 Q9UNU6 1/20 0.41
KCNH2 Q12809 8/20 0.38
PRKCA P17252 1/20 0.35
PRKCQ Q04759 1/20 0.35
SCN10A Q9Y5Y9 2/20 0.35
SLC2A1 P11166 1/20 0.34
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
PKLR P30613 1/20 0.33

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
SCHEMBL4071024 0.84 CYP8B1 (0.45) CYP8B1KCNH2
SCHEMBL4062836 0.81 KCNH2 (0.39) CYP8B1KCNH2SLC2A1ADORA2AADORA1
SCHEMBL3167861 0.80 CYP8B1 (0.49) CYP8B1KCNH2SLC2A1
SCHEMBL3168285 0.76 CYP8B1 (0.49) CYP8B1KCNH2SLC2A1
SCHEMBL13527137 0.75 CYP8B1 (0.47) CYP8B1KCNH2SLC2A1
SCHEMBL1222970 0.75 CYP8B1 (0.38) CYP8B1KCNH2
SCHEMBL1222972 0.75 CYP8B1 (0.38) CYP8B1KCNH2
SCHEMBL5752149 0.73 CYP8B1 (0.47) CYP8B1KCNH2SLC2A1
SCHEMBL4064056 0.73 KCNH2 (0.40) KCNH2
SCHEMBL4069637 0.71 SIRT2 (0.47) CYP8B1KCNH2

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
EP-1605938-B1 Antibacterial derivatives of napthydrin and quinoline GLAXO GROUP LTD (GB) 2009-02-11 EP disclosed
EP-1605938-B1 Antibacterial derivatives of napthydrin and quinoline GLAXO GROUP LTD (GB) 2009-02-11 EP disclosed
EP-1605938-A4 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2006-11-22 EP disclosed
US-20060189601-A1 Antibacterial agents GLAXO GROUP LIMITED (GB) 2006-08-24 US disclosed
EP-1605938-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2005-12-21 EP disclosed
WO-2004087145-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2004-10-14 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-20060189601-A1 Antibacterial agents NQO2, NRDC, IFNG CYP8B1 1990/4885KCNH2 3365/4885PRKCA 4470/4885

“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.