SCHEMBL13097358

SCHEMBL13097358

Cc1c(COc2ccc(CCC3CCOCC3)cn2)nc2ccccc2c1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.37
ACHE P22303 1/20 0.35
PDE9A O76083 1/20 0.34
BRD4 O60885 1/20 0.34
CYP11B2 P19099 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
ELANE P08246 1/20 0.33
CD274 Q9NZQ7 2/20 0.33
FFAR1 O14842 1/20 0.33
ADAM17 P78536 1/20 0.33
MAPT P10636 1/20 0.33
GABRA5 P31644 1/20 0.32

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
SCHEMBL13106695 0.91 TLR7 (0.36) CYP2D6ACHECD274MAPTGABRA5
SCHEMBL13097376 0.88 PARP14 (0.38) ACHECNR1CNR2ADAM17
SCHEMBL13097324 0.83 PARP14 (0.36) CYP2D6ACHEBRD4CNR1CNR2
SCHEMBL13097117 0.82 CYP2D6 (0.55) CYP2D6CYP11B2CNR1CNR2MAPT
SCHEMBL13097389 0.81 FFAR1 (0.37) CD274FFAR1MAPT
SCHEMBL3098716 0.80 PDE2A (0.39) CYP2D6BRD4CNR1CNR2FFAR1
SCHEMBL13097264 0.80 PDE2A (0.39) CYP2D6BRD4CNR1CNR2
SCHEMBL13097011 0.79 CYP2D6 (0.43) CYP2D6CNR1CNR2FFAR1
SCHEMBL13096998 0.79 CYP2D6 (0.42) CYP2D6BRD4CNR1CNR2
SCHEMBL13106158 0.79 TLR7 (0.38) CYP2D6ACHEFFAR1ADAM17MAPT

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 230/4885ACHE 1567/4885PDE9A 2764/4885

“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.