SCHEMBL7913772

SCHEMBL7913772

CCCOc1ccc(F)c2c(=O)c(-c3ccc(OC)cc3)cn(CCC(=O)OCCN3CCN(C)CC3)c12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 6/20 0.38
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
HTR1A P08908 1/20 0.37
HTR7 P34969 1/20 0.37
KCNA5 P22460 2/20 0.37
CLK1 P49759 1/20 0.36
RAB9A P51151 1/20 0.36
CHRM1 P11229 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
PIK3CD O00329 1/20 0.35
DRD2 P14416 2/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
BMP4 P12644 1/20 0.34

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
Hydrochloric Acid SCHEMBL2581608 0.99 DRD3 (0.38) DRD3HRH2HRH1HTR1AHTR7
SCHEMBL2493992 0.88 HTR1A (0.44) HRH2HRH1HTR1AHTR7RAB9A
SCHEMBL2496305 0.88 HTR1A (0.46) HRH2HRH1HTR1AHTR7RAB9A
SCHEMBL2461696 0.87 ACHE (0.42) HRH2HRH1HTR1AHTR7DRD2
SCHEMBL2458294 0.84 CHRM1 (0.43) CLK1RAB9ACHRM1
SCHEMBL12160513 0.84 HTR1A (0.43) DRD3HRH2HRH1HTR1AHTR7
SCHEMBL2466272 0.84 TNF (0.44) HRH2HRH1CLK1RAB9ACHRM1
Hydrochloric Acid SCHEMBL2493996 0.83 HTR1A (0.42) DRD3HRH2HRH1HTR1AHTR7
SCHEMBL7900961 0.83 HTR1A (0.40) HRH2HRH1HTR1AHTR7PIK3CD
SCHEMBL2494722 0.83 HTR1A (0.44) HRH2HRH1HTR1AHTR7RAB9A

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 14 patents. 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-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-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
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 DRD3 16/4885HRH2 129/4885HRH1 74/4885
US-20110269705-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 DRD3 16/4885HRH2 129/4885HRH1 74/4885
US-20140045793-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 DRD3 16/4885HRH2 129/4885HRH1 74/4885

“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.