SCHEMBL13097055

SCHEMBL13097055

c1ccc(COc2cccc(N3CCC4(CCCO4)CC3)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.51
SLC6A4 P31645 3/20 0.51
SLC6A3 Q01959 3/20 0.51
MAOB P27338 4/20 0.45
GRM5 P41594 1/20 0.44
ALDH1A1 P00352 3/20 0.44
ALOX5 P09917 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
NAAA Q02083 2/20 0.42
PRKDC P78527 1/20 0.42
ATM Q13315 1/20 0.42
MAOA P21397 1/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
ALOX12 P18054 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL13097058 0.84 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3ALOX5FFAR4
SCHEMBL13106640 0.81 GRIN1 (0.47) SLC6A2SLC6A4SLC6A3ALDH1A1FFAR4
SCHEMBL8322225 0.80 MAOB (0.58) MAOBGRM5ALDH1A1ALOX5MAOA
SCHEMBL1263059 0.79 AGXT (0.61) MAOBGRM5ALDH1A1ALOX5PRKDC
SCHEMBL3103344 0.79 MAOB (0.57) MAOBGRM5ALDH1A1ALOX5MAOA
SCHEMBL13097316 0.78 PRMT5 (0.52) MAOBGRM5ALDH1A1ALOX5KDM4E
SCHEMBL13097056 0.77 DRD2 (0.44) SLC6A2SLC6A4SLC6A3FFAR4SMN1; SMN2
SCHEMBL32665315 0.75 MAOB (0.49) MAOBGRM5ALDH1A1ALOX5FFAR4
SCHEMBL737235 0.75 MAPT (0.49) SLC6A2SLC6A3MAOBALDH1A1MAOA
SCHEMBL4671542 0.74 ALOX5 (0.54) MAOBGRM5ALDH1A1ALOX5MAOA

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 2 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-20100256113-A1 QUINOLONE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 US 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 SLC6A2 1834/4885SLC6A4 2561/4885SLC6A3 2681/4885

“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.