SCHEMBL2840431

SCHEMBL2840431

CC(C)CN(C)c1ccc(F)cc1N

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
ALDH1A1 P00352 1/20 0.35
AOC3 Q16853 4/20 0.34
HRH4 Q9H3N8 3/20 0.34
HTR2C P28335 3/20 0.33
SLC6A3 Q01959 2/20 0.33
HTR2A P28223 2/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 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
SCHEMBL2852394 0.77 SLC6A2 (0.37) SLC6A2SLC6A4ALDH1A1AOC3HRH4
SCHEMBL8313735 0.77 HRH4 (0.41) SLC6A2SLC6A4ALDH1A1AOC3HRH4
SCHEMBL28076318 0.75 GAA (0.55) SLC6A2SLC6A4ALDH1A1SLC6A3GAA
SCHEMBL1772183 0.74 AOC3 (0.42) SLC6A2SLC6A4ALDH1A1AOC3SLC6A3
SCHEMBL21636847 0.73 MAPT (0.44) SLC6A2SLC6A4ALDH1A1AOC3HRH4
SCHEMBL2850957 0.73 SLC6A2 (0.35) SLC6A2SLC6A4ALDH1A1SLC6A3
SCHEMBL1135955 0.73 ATM (0.44) ALDH1A1KMT2A
SCHEMBL22819191 0.70 CYP19A1 (0.43) SLC6A2SLC6A4ALDH1A1GAAKMT2A
SCHEMBL1341583 0.70 TDP1 (0.42) SLC6A2SLC6A4ALDH1A1HTR2CSLC6A3
SCHEMBL15014119 0.70 APP (0.41) SLC6A2SLC6A4ALDH1A1AOC3SLC6A3

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-20160304461-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-10-20 US disclosed
US-9403773-B2 Quinolone compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-02 US disclosed
US-20150218101-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-08-06 US disclosed
US-9045464-B2 Quinolone compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-06-02 US disclosed
US-20140121207-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-05-01 US disclosed
US-8642619-B2 Quinolone compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-02-04 US disclosed
US-20120316168-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-12-13 US disclosed
US-8269011-B2 Quinolone compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-09-18 US disclosed
US-20100130546-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-05-27 US disclosed
EP-2152699-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION Otsuka Pharmaceutical Co., Ltd. (JP) 2010-02-17 EP disclosed
WO-2008150029-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-12-11 WO 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 (5 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-20120316168-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 SLC6A2 103/4885SLC6A4 212/4885ALDH1A1 692/4885
US-20140121207-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 SLC6A2 103/4885SLC6A4 212/4885ALDH1A1 692/4885
US-20160304461-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 SLC6A2 103/4885SLC6A4 212/4885ALDH1A1 692/4885
US-20100130546-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 SLC6A2 103/4885SLC6A4 212/4885ALDH1A1 692/4885
US-20150218101-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 SLC6A2 103/4885SLC6A4 212/4885ALDH1A1 692/4885

“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.