SCHEMBL3106719

SCHEMBL3106719

Cc1c(COc2cc(OCC3CCOCC3)ccn2)[nH]c2ccc(F)cc2c1=O

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 8/20 0.61
CYP2C9 P11712 2/20 0.38
MAPK1 P28482 1/20 0.37
GRM4 Q14833 4/20 0.36
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL13097651 0.92 CYP2D6 (0.53) CYP2D6MAPK1CCNT1CDK9KDM4E
SCHEMBL13097612 0.89 CYP2D6 (0.78) CYP2D6GRM4MAOAMAOB
SCHEMBL13097570 0.88 CYP2D6 (0.79) CYP2D6MAPK1MAOAMAOBKDM4E
SCHEMBL13097617 0.86 CYP2D6 (0.66) CYP2D6MAPK1GRM4MAOAMAOB
SCHEMBL13097560 0.85 CYP2D6 (0.78) CYP2D6GRM4MAOAMAOBKDM4E
SCHEMBL13097604 0.80 CYP2D6 (0.68) CYP2D6MAPK1MAOAMAOBKDM4E
SCHEMBL3092104 0.80 CYP2D6 (0.68) CYP2D6KDM4EALDH1A1
SCHEMBL13097982 0.79 CYP2D6 (0.63) CYP2D6MAOAMAOBACHE
SCHEMBL13097573 0.78 CYP2D6 (0.82) CYP2D6MAOAMAOBKDM4EALDH1A1
SCHEMBL13097655 0.78 CYP2D6 (0.67) CYP2D6KDM4E

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 10 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
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 230/4885CYP2C9 713/4885MAPK1 1589/4885

“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.