SCHEMBL13097050

SCHEMBL13097050

Cc1c(COc2cc(OCC3CCOCC3)ccn2)nc2ccccc2c1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.42
GABRA5 P31644 1/20 0.40
CNR1 P21554 4/20 0.36
CNR2 P34972 4/20 0.36
PARP14 Q460N5 1/20 0.36
HTR4 Q13639 3/20 0.35
KCNH2 Q12809 2/20 0.35
SLC2A1 P11166 1/20 0.35
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
ACHE P22303 1/20 0.34
HTR2A P28223 1/20 0.33
GRM4 Q14833 1/20 0.33
PDE2A O00408 1/20 0.33
PDE10A Q9Y233 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
SCHEMBL13096921 0.96 GABRA5 (0.42) CYP2D6GABRA5CNR1CNR2PARP14
SCHEMBL3098716 0.91 PDE2A (0.39) CYP2D6GABRA5CNR1CNR2PARP14
SCHEMBL13097145 0.91 CYP2D6 (0.38) CYP2D6GABRA5CNR1CNR2PARP14
SCHEMBL13106649 0.90 CYP2D6 (0.41) CYP2D6HTR4KCNH2SLC2A1GRM4
SCHEMBL13097173 0.90 GABRA5 (0.39) CYP2D6GABRA5CNR1CNR2PARP14
SCHEMBL3103759 0.89 CYP2D6 (0.52) CYP2D6CNR1CNR2PARP14HTR4
SCHEMBL13097329 0.89 CYP2D6 (0.40) CYP2D6GABRA5CNR1CNR2PARP14
SCHEMBL13097011 0.88 CYP2D6 (0.43) CYP2D6CNR1CNR2PARP14HTR4
SCHEMBL13097117 0.87 CYP2D6 (0.55) CYP2D6CNR1CNR2HTR4KCNH2
SCHEMBL13096916 0.86 CYP2D6 (0.44) CYP2D6CNR1CNR2PARP14HTR4

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 2 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

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 CYP2D6 230/4885GABRA5 3532/4885CNR1 1403/4885

“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.