SCHEMBL13097031

SCHEMBL13097031

Cc1c(COc2cccc(OCCCC3CCOCC3)c2)nc2ccccc2c1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.41
MAOA P21397 1/20 0.39
PARP14 Q460N5 1/20 0.38
PDE2A O00408 1/20 0.37
MAOB P27338 1/20 0.37
CNR1 P21554 3/20 0.37
CNR2 P34972 3/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
BRD4 O60885 1/20 0.36
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL13096998 0.95 CYP2D6 (0.42) CYP2D6PARP14PDE2AMAOBCNR1
SCHEMBL13106488 0.91 GPBAR1 (0.43) CYP2D6MAOAPDE2ANPC1RAB9A
SCHEMBL3103759 0.90 CYP2D6 (0.52) CYP2D6PARP14MAOBCNR1CNR2
SCHEMBL13097004 0.90 CYP2D6 (0.44) CYP2D6PARP14MAOBCNR1CNR2
SCHEMBL13097264 0.89 PDE2A (0.39) CYP2D6PARP14PDE2ACNR1CNR2
SCHEMBL13106632 0.88 GPBAR1 (0.43) CYP2D6PDE2ANPC1RAB9AALDH1A1
SCHEMBL13097173 0.85 GABRA5 (0.39) CYP2D6PARP14PDE2ACNR1CNR2
SCHEMBL3098716 0.85 PDE2A (0.39) CYP2D6MAOAPARP14PDE2ACNR1
SCHEMBL13097376 0.84 PARP14 (0.38) PARP14CNR1CNR2
SCHEMBL13096947 0.84 PARP14 (0.39) CYP2D6PARP14MAOBCNR1CNR2

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 230/4885MAOA 128/4885PARP14 291/4885

“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.