SCHEMBL13097669

SCHEMBL13097669

Cc1c(COc2ccc3c(c2)CCN(C(=O)C2CCOCC2)C3)[nH]c2ccc(F)cc2c1=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.45
CHRM4 P08173 6/20 0.44
GABRG2 P18507 4/20 0.42
GABRB3 P28472 4/20 0.42
GABRA5 P31644 4/20 0.42
KCNH2 Q12809 4/20 0.42
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
RORC P51449 1/20 0.37

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
SCHEMBL13097666 0.97 CYP2D6 (0.45) CYP2D6CHRM4GABRG2GABRB3GABRA5
SCHEMBL13097652 0.90 CYP2D6 (0.47) CYP2D6CHRM4KDM4ELMNAMAPT
SCHEMBL13097667 0.87 CYP2D6 (0.44) CYP2D6CHRM4GABRG2GABRB3GABRA5
SCHEMBL13097664 0.87 CYP2D6 (0.47) CYP2D6KDM4ELMNAMAPTHPGD
SCHEMBL13097662 0.84 CYP2D6 (0.44) CYP2D6KDM4ELMNAMAPTHPGD
SCHEMBL13097645 0.82 CYP2D6 (0.53) CYP2D6KDM4ELMNAMAPTHPGD
SCHEMBL13097633 0.81 MGLL (0.43) CYP2D6CHRM4KDM4ELMNAHPGD
SCHEMBL3106429 0.77 CYP2D6 (0.47) CYP2D6KDM4ELMNAMAPTHPGD
SCHEMBL13097668 0.77 CYP2D6 (0.47) CYP2D6KDM4EMAPTHPGDHSD17B10
SCHEMBL13107319 0.76 CHRM4 (0.47) CHRM4GABRG2GABRB3GABRA5KCNH2

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 230/4885CHRM4 1865/4885GABRG2 4017/4885

“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.