SCHEMBL2585517

SCHEMBL2585517

CCCCNCCCCn1cc(-c2ccc(OC)cc2)c(=O)c2c(F)ccc(OCCC)c21

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HEXA P06865 3/20 0.37
HEXB P07686 3/20 0.37
CHRM1 P11229 1/20 0.36
CNR2 P34972 2/20 0.35
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35
CNR1 P21554 1/20 0.35
TLR8 Q9NR97 1/20 0.34
AVPR1B P47901 1/20 0.34
KDM4E B2RXH2 2/20 0.34
MAOB P27338 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL2493082 0.89 CHRM1 (0.38) CHRM1CNR2HTR1AHTR7CNR1
SCHEMBL2496282 0.88 CHRM1 (0.37) CHRM1CNR2HTR1AHTR7CNR1
SCHEMBL2494803 0.88 CHRM1 (0.37) CHRM1CNR2HTR1AHTR7CNR1
SCHEMBL2489835 0.88 CHRM1 (0.38) CHRM1CNR2HTR1AHTR7CNR1
SCHEMBL2495082 0.88 CHRM1 (0.40) CHRM1CNR2HTR1AHTR7CNR1
SCHEMBL2465064 0.88 HDAC1 (0.38) CHRM1CNR1HDAC1HDAC6ALDH1A1
SCHEMBL2491388 0.87 CHRM1 (0.38) CHRM1CNR2HTR1AHTR7CNR1
SCHEMBL2489841 0.86 CHRM1 (0.39) CHRM1CNR2HTR1AHTR7CNR1
SCHEMBL2461267 0.85 CHRM1 (0.38) CHRM1CNR2HTR1AHTR7CNR1
SCHEMBL2495645 0.85 CHRM1 (0.41) CHRM1CNR2HTR1AHTR7CNR1

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 8 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-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-8592593-B2 Quinolone compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-11-26 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-20110269705-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-11-03 US 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 HEXA 3423/4885HEXB 3098/4885CHRM1 170/4885
US-20110269705-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 HEXA 3423/4885HEXB 3098/4885CHRM1 170/4885
US-20140045793-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 HEXA 3423/4885HEXB 3098/4885CHRM1 170/4885

“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.