SCHEMBL5544157

SCHEMBL5544157

[CH2]CCc1cccc(Oc2ccc(OC(F)(F)F)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.48
CETP P11597 8/20 0.47
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
DAO P14920 1/20 0.45
MRGPRX4 Q96LA9 2/20 0.44
LTA4H P09960 1/20 0.43
EPHX2 P34913 1/20 0.43
GRIN2B Q13224 1/20 0.42
NR3C1 P04150 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
CNR1 P21554 1/20 0.40

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
SCHEMBL1047225 0.89 CHRM2 (0.55) MAPK14CETPCHRM2CHRM1CHRM3
SCHEMBL28754466 0.85 FDFT1 (0.53) MAPK14CETPMRGPRX4LTA4HEPHX2
SCHEMBL5534616 0.84 EPHX2 (0.49) CETPDAOLTA4HEPHX2NR3C1
SCHEMBL5537039 0.83 MAPK14 (0.51) MAPK14CETPCHRM2CHRM1CHRM3
SCHEMBL5540055 0.82 FFAR1 (0.50) DAOLTA4H
SCHEMBL921230 0.81 HTR2C (0.53) MAPK14CETPMRGPRX4LTA4HEPHX2
SCHEMBL10446484 0.81 LTA4H (0.52) MAPK14CETPLTA4HEPHX2NR3C1
SCHEMBL2090549 0.80 CHRM3 (0.47) CETPCHRM2CHRM1CHRM3DAO
SCHEMBL17288668 0.80 CHRM2 (0.52) MAPK14CETPCHRM2CHRM1CHRM3
SCHEMBL1046754 0.78 DAO (0.47) DAOMRGPRX4LTA4HEPHX2GRIN2B

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 MAPK14 2803/4885CETP 4769/4885CHRM2 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.