SCHEMBL5544718

SCHEMBL5544718

O=[C]NCCc1cccc(OC(F)(F)C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.43
CHRM2 P08172 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
DAO P14920 1/20 0.40
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TRPV1 Q8NER1 1/20 0.37
KCNH2 Q12809 4/20 0.37
ACHE P22303 3/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPK14 Q16539 1/20 0.35

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
SCHEMBL5545572 0.92 MTNR1A (0.41) CNR1CHRM2CHRM1CHRM3DAO
SCHEMBL5539748 0.91 PPARG (0.41) CNR1CHRM2CHRM1CHRM3DAO
SCHEMBL5543398 0.89 CNR1 (0.53) CNR1CHRM2CHRM1CHRM3DAO
SCHEMBL5540837 0.86 MAPK14 (0.41) CNR1CHRM2CHRM1CHRM3DAO
SCHEMBL5540656 0.82 LTA4H (0.39) DAOTRPV1PPARGPPARAALDH1A1
SCHEMBL5544721 0.81 CHRM2 (0.46) CNR1CHRM2CHRM1CHRM3DAO
SCHEMBL5540083 0.81 CHRM2 (0.49) CNR1CHRM2CHRM1CHRM3DAO
SCHEMBL5544119 0.79 CHRM2 (0.41) CNR1CHRM2CHRM1CHRM3DAO
SCHEMBL7444665 0.78 CHRM2 (0.66) CNR1CHRM2CHRM1CHRM3KDM4E
SCHEMBL5542489 0.77 PPARA (0.40) CNR1CHRM2CHRM1CHRM3DAO

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 CNR1 857/4885CHRM2 862/4885CHRM1 463/4885

“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.