SCHEMBL13106512

SCHEMBL13106512

CCCCOc1cccc(OC2CCN(C(=O)C3CCOCC3)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.46
PIK3CD O00329 9/20 0.46
PIK3CA P42336 9/20 0.46
NAMPT P43490 1/20 0.46
ACACA Q13085 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
HRH2 P25021 1/20 0.44
HRH1 P35367 1/20 0.44

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
SCHEMBL13107102 0.86 NAMPT (0.55) NAMPT
SCHEMBL13349918 0.83 F10 (0.49) MAPTRAB9AACACA
SCHEMBL13097136 0.83 ALDH1A1 (0.54) MAPTRAB9ANAMPT
SCHEMBL13106516 0.82 HRH3 (0.44) MAPTPIK3CDPIK3CAACACAHRH3
SCHEMBL13097137 0.81 NAMPT (0.48) RAB9APIK3CDPIK3CANAMPTHRH3
SCHEMBL13106654 0.80 HRH3 (0.45) MAPTPIK3CDPIK3CAACACAHRH3
SCHEMBL13107104 0.79 PDE4D (0.54) HRH3
SCHEMBL13349840 0.78 NAMPT (0.46) RAB9APIK3CDPIK3CANAMPTHRH3
SCHEMBL13107291 0.77 POLB (0.53) PIK3CDHRH2HRH1
SCHEMBL21814291 0.76 NAMPT (0.54) MAPTPIK3CDPIK3CANAMPTHRH3

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-8367702-B2 Quinolone derivative ASTELLAS PHARMA INC. (JP) 2013-02-05 US disclosed
US-20100256113-A1 QUINOLONE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 US disclosed
EP-2194044-A1 QUINOLONE DERIVATIVE Astellas Pharma Inc. (JP) 2010-06-09 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-20100256113-A1 QUINOLONE DERIVATIVE NQO1, NQO2, NADK MAPT 4661/4885RAB9A 2422/4885PIK3CD 704/4885

“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.