SCHEMBL5535588

SCHEMBL5535588

FC(F)(F)Oc1ccc(OC2CCN(c3ccc(OC4CCCCO4)cc3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.50
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
CHRM4 P08173 3/20 0.40
EPHX2 P34913 3/20 0.39
FPR2 P25090 2/20 0.39
PROKR1 Q8TCW9 2/20 0.39
FAAH O00519 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
FFAR4 Q5NUL3 1/20 0.38
MMP13 P45452 2/20 0.38
MMP2 P08253 1/20 0.38
MMP12 P39900 1/20 0.37
MMP14 P50281 1/20 0.37
LCAT P04180 1/20 0.37
ACACB O00763 1/20 0.37
FFAR1 O14842 1/20 0.37
SCN9A Q15858 1/20 0.37

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
SCHEMBL5541756 0.93 KCNH2 (0.41) KCNH2CHRM4EPHX2FFAR4MMP2
SCHEMBL13280162 0.88 CARM1 (0.49) KCNH2PTGS1SLC6A2SLC6A4CHRM4
SCHEMBL13279081 0.85 KCNH2 (0.38) KCNH2FFAR4ACACBFFAR1
SCHEMBL29656929 0.83 ALDH1A1 (0.45)
SCHEMBL13279406 0.83 CHRM4 (0.41) KCNH2CHRM4
SCHEMBL13281330 0.80 KCNH2 (0.53) KCNH2PTGS1SLC6A2SLC6A4CHRM4
SCHEMBL2056202 0.80 KCNH2 (0.58) KCNH2PTGS1SLC6A2SLC6A4CHRM4
SCHEMBL2090776 0.80 KCNH2 (0.53) KCNH2PTGS1SLC6A2SLC6A4CHRM4
SCHEMBL57855 0.80 KCNH2 (0.53) KCNH2PTGS1SLC6A2SLC6A4CHRM4
SCHEMBL3036120 0.79 KCNH2 (0.52) KCNH2PTGS1SLC6A2SLC6A4CHRM4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP 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 (1 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 KCNH2 3503/4885PTGS1 3838/4885SLC6A2 3396/4885

“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.