SCHEMBL3095845

SCHEMBL3095845

CC(=O)N1CCC(COc2cccc(OCc3[nH]c4ccccc4c(=O)c3C)c2)CC1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 8/20 0.72
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
MGLL Q99685 1/20 0.41
F10 P00742 2/20 0.41
PDE3B Q13370 3/20 0.41
PDE3A Q14432 3/20 0.41
CHEK2 O96017 1/20 0.41
MCL1 Q07820 1/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
F2 P00734 1/20 0.40

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
SCHEMBL13097637 0.90 CYP2D6 (0.60) CYP2D6PDE3BPDE3AMCL1
SCHEMBL13097912 0.90 CYP2D6 (0.68) CYP2D6GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13097897 0.87 CYP2D6 (0.78) CYP2D6GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13097575 0.85 CYP2D6 (0.72) CYP2D6MGLLCYP4F2CYP4A11F2
SCHEMBL13097607 0.85 CYP2D6 (0.80) CYP2D6MGLLPDE3BPDE3A
SCHEMBL13097629 0.85 CYP2D6 (0.80) CYP2D6
SCHEMBL3101982 0.84 CYP2D6 (1.00) CYP2D6PDE3BPDE3A
SCHEMBL13097578 0.83 CYP2D6 (0.77) CYP2D6MGLLMEN1KMT2A
SCHEMBL13097644 0.80 CYP2D6 (0.48) CYP2D6F10PDE3BPDE3AMEN1
SCHEMBL13097569 0.79 CYP2D6 (0.80) CYP2D6PDE3BPDE3A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367702-B2 Quinolone derivative ASTELLAS PHARMA INC. (JP) 2013-02-05 US claimed
US-20100256113-A1 QUINOLONE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 US claimed
EP-2194044-A1 QUINOLONE DERIVATIVE Astellas Pharma Inc. (JP) 2010-06-09 EP claimed
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-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
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
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 230/4885GRIN2D 3512/4885GRIN3B 3312/4885

“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.