SCHEMBL13097804

SCHEMBL13097804

COC(C)(C)CCOC1CCN(C(=O)OCc2[nH]c3ccccc3c(=O)c2C)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 6/20 0.54
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 3/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TSHR P16473 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
MAPT P10636 4/20 0.37
HSD17B10 Q99714 4/20 0.37
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
ALOX12 P18054 1/20 0.37
MAPK10 P53779 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL13097800 0.91 CYP2D6 (0.51) CYP2D6SMN1; SMN2HTTKDM4ERXFP1
SCHEMBL13097801 0.85 SMN1; SMN2 (0.50) CYP2D6SMN1; SMN2HTTKDM4ERXFP1
SCHEMBL13097836 0.82 SMN1; SMN2 (0.51) CYP2D6SMN1; SMN2HTTKDM4ERXFP1
SCHEMBL13097703 0.80 CYP2D6 (0.70) CYP2D6MAPTALDH1A1KMT2ALMNA
SCHEMBL13097519 0.80 CYP2D6 (0.41) CYP2D6SMN1; SMN2HTTKDM4E
SCHEMBL13097552 0.78 ALDH1A1 (0.57) CYP2D6SMN1; SMN2HTTKDM4ERXFP1
SCHEMBL13097792 0.77 KMT2A (0.51) CYP2D6SMN1; SMN2HTTKDM4ETSHR
SCHEMBL13097730 0.77 ALDH1A1 (0.53) CYP2D6SMN1; SMN2HTTKDM4ERXFP1
SCHEMBL13097514 0.75 CYP2D6 (0.66) CYP2D6SMN1; SMN2HTTKDM4ETSHR
SCHEMBL3099236 0.75 SMN1; SMN2 (0.54) CYP2D6SMN1; SMN2HTTKDM4ERXFP1

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 230/4885SMN1; SMN2 4848/4885HTT 4209/4885

“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.