SCHEMBL13097644

SCHEMBL13097644

CC(=O)N1CCC(Oc2cccc(OCc3[nH]c4ccc(F)cc4c(=O)c3C)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 5/20 0.48
PDE3B Q13370 5/20 0.41
PDE3A Q14432 5/20 0.41
GAA P10253 1/20 0.40
MLNR O43193 2/20 0.39
BAZ2B Q9UIF8 1/20 0.39
FAAH O00519 1/20 0.38
F10 P00742 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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 0.89 CYP2D6 (0.60) CYP2D6PDE3BPDE3A
SCHEMBL13097645 0.88 CYP2D6 (0.53) CYP2D6PDE3BPDE3AMEN1KMT2A
SCHEMBL13097646 0.87 CYP2D6 (0.56) CYP2D6PDE3BPDE3AMLNR
SCHEMBL13097647 0.86 CYP2D6 (0.46) CYP2D6KMT2A
SCHEMBL3095845 0.80 CYP2D6 (0.72) CYP2D6PDE3BPDE3AF10MEN1
SCHEMBL13097639 0.77 CYP2D6 (0.66) CYP2D6PDE3BPDE3A
SCHEMBL13097649 0.77 CYP2D6 (0.55) CYP2D6GAA
SCHEMBL13097570 0.77 CYP2D6 (0.79) CYP2D6PDE3BPDE3AGAA
SCHEMBL13097640 0.76 CYP2D6 (0.69) CYP2D6PDE3BPDE3A
SCHEMBL13097614 0.76 CYP2D6 (0.54) CYP2D6

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 230/4885PDE3B 1554/4885PDE3A 2484/4885

“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.