SCHEMBL5542489

SCHEMBL5542489

O=[C]OCCCc1cccc(OC(F)(F)C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.40
PPARG P37231 4/20 0.40
CHRM2 P08172 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
DAO P14920 1/20 0.39
CNR1 P21554 1/20 0.35
MGLL Q99685 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
KCNH2 Q12809 2/20 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
SCHEMBL5535732 0.96 PPARA (0.41) PPARAPPARGCHRM2CHRM1CHRM3
SCHEMBL5544119 0.92 CHRM2 (0.41) PPARAPPARGCHRM2CHRM1CHRM3
SCHEMBL2090345 0.89 CHRM2 (0.50) PPARAPPARGCHRM2CHRM1CHRM3
SCHEMBL5538675 0.83 PPARG (0.36) PPARAPPARGDAO
SCHEMBL5545879 0.83 CHRM2 (0.37) CHRM2CHRM1CHRM3DAO
SCHEMBL5542494 0.81 CHRM2 (0.45) PPARAPPARGCHRM2CHRM1CHRM3
SCHEMBL2090442 0.80 CHRM2 (0.52) CHRM2CHRM1CHRM3DAOCNR1
SCHEMBL5545572 0.80 MTNR1A (0.41) PPARAPPARGCHRM2CHRM1CHRM3
SCHEMBL5539748 0.79 PPARG (0.41) PPARAPPARGCHRM2CHRM1CHRM3
SCHEMBL2097738 0.79 PPARA (0.41) PPARAPPARGCHRM2CHRM1CHRM3

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 6 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
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN 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 PPARA 429/4885PPARG 856/4885CHRM2 862/4885

“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.