SCHEMBL2852394

SCHEMBL2852394

CCCN(C)c1ccc(F)cc1N

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
ALDH1A1 P00352 2/20 0.36
HCAR3 P49019 1/20 0.36
AOC3 Q16853 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
AOC1 P19801 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 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
SCHEMBL24827531 0.86 ALDH1A1 (0.41) SLC6A2SLC6A4ALDH1A1HCAR3AOC3
SCHEMBL5716104 0.81 NR3C2 (0.39) ALDH1A1HCAR3POLBAPEX1TDP1
SCHEMBL2850957 0.81 SLC6A2 (0.35) SLC6A2SLC6A4ALDH1A1SLC6A3
SCHEMBL19908622 0.79 HCAR3 (0.39) SLC6A2SLC6A4ALDH1A1HCAR3GAA
SCHEMBL2840431 0.77 SLC6A2 (0.36) SLC6A2SLC6A4ALDH1A1AOC3GAA
SCHEMBL28076318 0.77 GAA (0.55) SLC6A2SLC6A4ALDH1A1GAAKMT2A
SCHEMBL11969279 0.75 HCAR3 (0.36) ALDH1A1HCAR3GAAKMT2APOLB
SCHEMBL21636847 0.75 MAPT (0.44) SLC6A2SLC6A4ALDH1A1AOC3KMT2A
SCHEMBL8313735 0.74 HRH4 (0.41) SLC6A2SLC6A4ALDH1A1AOC3GAA
SCHEMBL19848298 0.74 ALDH1A1 (0.39) SLC6A2SLC6A4ALDH1A1AOC3GAA

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-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-0897921-A1 Benzothiadiazinyl-indole derivatives and their use as serotonin receptor ligands ELI LILLY AND COMPANY LIMITED (GB) 1999-02-24 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 (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.