SCHEMBL2584680

SCHEMBL2584680

CCCOc1ccc(F)c2c(=O)c(-c3ccc(OC)cc3)cn(CCSCCCO)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.37
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33
MAOB P27338 2/20 0.33
CLK1 P49759 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MET P08581 4/20 0.31
GFER P55789 1/20 0.31
CNR1 P21554 2/20 0.31
CNR2 P34972 2/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
MAOA P21397 1/20 0.30
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30
AXL P30530 1/20 0.30
TLR8 Q9NR97 1/20 0.30
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30

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
SCHEMBL2492610 0.90 CHRM1 (0.40) CHRM1MAOBCLK1RAB9AMEN1
SCHEMBL2494485 0.89 CHRM1 (0.37) CHRM1HTR1AHTR7MAOBCLK1
SCHEMBL7910850 0.89 CHRM1 (0.35) CHRM1HTR1AHTR7MAOBCLK1
Hydrochloric Acid SCHEMBL2488605 0.88 CHRM1 (0.34) CHRM1HTR1AHTR7MAOBCLK1
SCHEMBL2490834 0.87 CHRM1 (0.36) CHRM1HTR1AHTR7MAOBCLK1
SCHEMBL2493725 0.86 CHRM1 (0.37) CHRM1HTR1AHTR7CLK1RAB9A
SCHEMBL2489835 0.86 CHRM1 (0.38) CHRM1HTR1AHTR7MAOBCLK1
SCHEMBL2495082 0.86 CHRM1 (0.40) CHRM1HTR1AHTR7MAOBCLK1
SCHEMBL2489841 0.85 CHRM1 (0.39) CHRM1HTR1AHTR7MAOBCLK1
SCHEMBL15472265 0.85 CHRM1 (0.43) CHRM1HTR1AHTR7MAOBCLK1

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 22 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
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-20130005675-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-03 US disclosed
US-20130005675-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-03 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
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 CHRM1 170/4885HTR1A 76/4885HTR7 186/4885
US-20110269705-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 CHRM1 170/4885HTR1A 76/4885HTR7 186/4885
US-20140045793-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 CHRM1 170/4885HTR1A 76/4885HTR7 186/4885

“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.