SCHEMBL13097897

SCHEMBL13097897

Cc1c(COc2cccc(OCC3CCN(C(=O)C4CCOCC4)CC3)c2)[nH]c2ccccc2c1=O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 8/20 0.78
LMNA P02545 3/20 0.42
HPGD P15428 2/20 0.42
MAPK10 P53779 2/20 0.42
TSHR P16473 1/20 0.42
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PDE3B Q13370 3/20 0.40
PDE3A Q14432 3/20 0.40
TLR9 Q9NR96 2/20 0.40
TLR8 Q9NR97 2/20 0.40
TLR7 Q9NYK1 2/20 0.40
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39

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
SCHEMBL13097639 0.91 CYP2D6 (0.66) CYP2D6LMNAHPGDMAPK10TSHR
SCHEMBL3101982 0.88 CYP2D6 (1.00) CYP2D6LMNAHPGDKDM4EMAPT
SCHEMBL3095845 0.87 CYP2D6 (0.72) CYP2D6PDE3BPDE3AGRIN2DGRIN3B
SCHEMBL13097912 0.84 CYP2D6 (0.68) CYP2D6MAPK10PDE3BPDE3AGRIN2D
SCHEMBL13097564 0.83 CYP2D6 (0.85) CYP2D6LMNAHPGDKDM4EMAPT
SCHEMBL13097622 0.82 CYP2D6 (0.84) CYP2D6TLR7
SCHEMBL13097645 0.82 CYP2D6 (0.53) CYP2D6LMNAHPGDKDM4EMAPT
SCHEMBL13097559 0.82 CYP2D6 (0.87) CYP2D6LMNAHPGDKDM4EMAPT
SCHEMBL13097963 0.82 CYP2D6 (0.71) CYP2D6LMNAHPGDKDM4EMAPT
SCHEMBL13097640 0.82 CYP2D6 (0.69) CYP2D6LMNAHPGDTSHRKDM4E

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
US-8367702-B2 Quinolone derivative ASTELLAS PHARMA INC. (JP) 2013-02-05 US disclosed
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
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 CYP2D6 230/4885LMNA 2595/4885HPGD 43/4885

“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.