SCHEMBL5545879

SCHEMBL5545879

O=[C]OCc1cccc(OC(F)(F)C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
MAOB P27338 2/20 0.37
FFAR4 Q5NUL3 1/20 0.37
DAO P14920 1/20 0.36
MRGPRX4 Q96LA9 3/20 0.35
CETP P11597 1/20 0.35
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
TACR1 P25103 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP14 P50281 1/20 0.35
ADAM17 P78536 1/20 0.35
IDO1 P14902 3/20 0.35
AGXT P21549 2/20 0.35
NR4A2 P43354 1/20 0.35
MAPK14 Q16539 1/20 0.34
FFAR1 O14842 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
SCHEMBL2095986 0.88 CHRM2 (0.48) CHRM2CHRM1CHRM3MAOBFFAR4
SCHEMBL5544119 0.85 CHRM2 (0.41) CHRM2CHRM1CHRM3MAOBDAO
SCHEMBL5542489 0.83 PPARA (0.40) CHRM2CHRM1CHRM3DAO
SCHEMBL5535732 0.82 PPARA (0.41) CHRM2CHRM1CHRM3DAO
SCHEMBL5546198 0.81 PTPRZ1 (0.36) MAOBDAOMMP2MMP9MMP14
SCHEMBL5545881 0.79 CHRM2 (0.43) CHRM2CHRM1CHRM3MAOBFFAR4
SCHEMBL5540837 0.78 MAPK14 (0.41) CHRM2CHRM1CHRM3DAOCETP
SCHEMBL2091440 0.76 CHRM2 (0.43) CHRM2CHRM1CHRM3DAOCETP
SCHEMBL1828436 0.76 IDO1 (0.61) CHRM2CHRM1CHRM3MAOBMRGPRX4
SCHEMBL2091368 0.76 FFAR1 (0.31) CHRM2CHRM1CHRM3FFAR1

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 CHRM2 862/4885CHRM1 463/4885CHRM3 597/4885

“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.