SCHEMBL2531356

SCHEMBL2531356

COc1ccc(-c2cn(COP(=O)(O)O)c3c(OCC4CCC4)ccc(F)c3c2=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.37
CHRM1 P11229 2/20 0.36
PDE4B Q07343 3/20 0.35
PDE4A P27815 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
CNR1 P21554 2/20 0.35
FAAH O00519 1/20 0.35
CNR2 P34972 1/20 0.35
S1PR1 P21453 1/20 0.34
BRD4 O60885 1/20 0.34
ELANE P08246 1/20 0.34
FFAR1 O14842 1/20 0.33
PPARD Q03181 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
SCHEMBL2580104 0.97 PDE4A (0.38) TYMSCHRM1PDE4BPDE4APDE4C
SCHEMBL2492031 0.92 BRD4 (0.35) CHRM1PDE4BPDE4APDE4CPDE4D
SCHEMBL2461985 0.89 CHRM1 (0.33) CHRM1PDE4BPDE4APDE4CPDE4D
SCHEMBL2490356 0.88 BRD4 (0.38) CHRM1PDE4BPDE4APDE4CPDE4D
SCHEMBL2492077 0.87 CHRM1 (0.40) TYMSCHRM1CNR1FAAHCNR2
SCHEMBL7903256 0.86 CHRM1 (0.36) TYMSCHRM1CNR1FAAHCNR2
SCHEMBL15996412 0.86 S1PR1 (0.39) CHRM1PDE4BPDE4APDE4CPDE4D
SCHEMBL2458317 0.85 CHRM1 (0.39) TYMSCHRM1PDE4DCNR1CNR2
SCHEMBL2458257 0.85 BRD4 (0.35) CHRM1PDE4BPDE4APDE4CPDE4D
SCHEMBL2461831 0.84 CHRM1 (0.39) TYMSCHRM1PDE4DCNR1CNR2

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2364298-B1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMA CO LTD (JP) 2016-08-03 EP disclosed
US-9018229-B2 Quinolone compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-04-28 US disclosed
US-9018229-B2 Quinolone compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-04-28 US disclosed
US-9018229-B2 Quinolone compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-04-28 US disclosed
US-RE45108-E1 Quinolone compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-09-02 US disclosed
US-RE45108-E1 Quinolone compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-09-02 US disclosed
US-RE45108-E1 Quinolone compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-09-02 US disclosed
US-20140045793-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-02-13 US disclosed
US-20140045793-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-02-13 US disclosed
US-20140045793-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-02-13 US disclosed
US-20130005675-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-03 US disclosed
US-8304546-B2 Quinolone compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-11-06 US disclosed
US-8304546-B2 Quinolone compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-11-06 US disclosed
US-8304546-B2 Quinolone compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-11-06 US disclosed
US-20110269705-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-11-03 US disclosed
US-20110269705-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-11-03 US disclosed
US-20110269705-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-11-03 US disclosed
EP-2364298-A1 Quinolone compound and pharmaceutical composition Otsuka Pharmaceutical Co., Ltd. (JP) 2011-09-14 EP disclosed
WO-2010064735-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-06-10 WO disclosed
WO-2010064735-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-06-10 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 (3 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-20130005675-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 TYMS 4776/4885CHRM1 170/4885PDE4B 336/4885
US-20110269705-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 TYMS 4776/4885CHRM1 170/4885PDE4B 336/4885
US-20140045793-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 TYMS 4776/4885CHRM1 170/4885PDE4B 336/4885

“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.