SCHEMBL4066839

SCHEMBL4066839

COc1ccc2nccc(N3CCC(CCN)CC3)c2n1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP8B1 Q9UNU6 1/20 0.46
ENPP1 P22413 1/20 0.44
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
CDC42BPB Q9Y5S2 1/20 0.42
KCNH2 Q12809 7/20 0.41
ACVR1 Q04771 1/20 0.41
CYP2C19 P33261 1/20 0.38
PIK3CA P42336 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
SCHEMBL4070886 0.87 CYP8B1 (0.45) CYP8B1KCNH2ACVR1
SCHEMBL3179377 0.86 CYP8B1 (0.46) CYP8B1KCNH2ACVR1CYP2C19PIK3CA
SCHEMBL3665601 0.86 CYP8B1 (0.46) CYP8B1KCNH2ACVR1CYP2C19PIK3CA
SCHEMBL1224385 0.86 CYP8B1 (0.46) CYP8B1KCNH2ACVR1CYP2C19PIK3CA
SCHEMBL1222834 0.84 CYP2C19 (0.46) CYP8B1ROCK2ROCK1CDC42BPBKCNH2
SCHEMBL5752149 0.82 CYP8B1 (0.47) CYP8B1KCNH2ACVR1
SCHEMBL4069340 0.81 KCNH2 (0.42) KCNH2
SCHEMBL1222886 0.81 CYP8B1 (0.41) CYP8B1KCNH2ACVR1
SCHEMBL3636416 0.80 CYP2C19 (0.54) CYP8B1ROCK2ROCK1CDC42BPBKCNH2
SCHEMBL1222688 0.80 CYP2C19 (0.54) CYP8B1ROCK2ROCK1CDC42BPBKCNH2

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
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 1990/4885ENPP1 577/4885ROCK2 3958/4885

“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.