SCHEMBL1135987

SCHEMBL1135987

Nc1cc(F)ccc1OC1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.44
MCHR1 Q99705 2/20 0.42
PDE4A P27815 7/20 0.39
PDE4B Q07343 4/20 0.38
PDE4C Q08493 3/20 0.38
PDE4D Q08499 3/20 0.38
HTT P42858 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
EIF4E P06730 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
KDM4E B2RXH2 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36

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
SCHEMBL15534488 0.86 MCHR1 (0.42) CSNK2A1MCHR1PDE4APDE4BPDE4C
SCHEMBL953420 0.82 ALDH1A1 (0.49) ALDH1A1KDM4E
SCHEMBL26144164 0.80 CSNK2A1 (0.41) CSNK2A1MCHR1PDE4APDE4DPTGDR2
SCHEMBL10012300 0.80 CSNK2A1 (0.45) CSNK2A1MCHR1PDE4APDE4BPDE4C
SCHEMBL31122720 0.79 PDE4D (0.43) PDE4APDE4BPDE4CPDE4D
SCHEMBL16335376 0.79 PKM (0.42) CSNK2A1PDE4AEIF4EMKNK1MKNK2
SCHEMBL14409244 0.79 OXTR (0.44) CSNK2A1PDE4APDE4BPDE4CPDE4D
SCHEMBL1136135 0.79 NPY1R (0.50) CSNK2A1MCHR1PDE4APDE4BPDE4C
SCHEMBL27478491 0.79 CSNK2A1 (0.59) CSNK2A1
SCHEMBL29786553 0.78 CSNK2A1 (0.51) CSNK2A1PDE4A

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 12 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
CN-101679392-B Quinolone compound and pharmaceutical composition OTSUKA PHARMA CO LTD 2012-05-30 CN disclosed
EP-2152699-B1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMA CO LTD (JP) 2011-02-23 EP disclosed
US-20100130546-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-05-27 US disclosed
CN-101679392-A Quinolone compound and pharmaceutical composition OTSUKA PHARMA CO LTD 2010-03-24 CN 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 CSNK2A1 663/4885MCHR1 294/4885PDE4A 254/4885
US-20140121207-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 CSNK2A1 663/4885MCHR1 294/4885PDE4A 254/4885
US-20160304461-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 CSNK2A1 663/4885MCHR1 294/4885PDE4A 254/4885
US-20100130546-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 CSNK2A1 663/4885MCHR1 294/4885PDE4A 254/4885
US-20150218101-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 CSNK2A1 663/4885MCHR1 294/4885PDE4A 254/4885

“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.