SCHEMBL3889241

SCHEMBL3889241

O=CNCCc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.49
LTA4H P09960 1/20 0.49
GPR84 Q9NQS5 1/20 0.46
TRPV1 Q8NER1 4/20 0.45
SLC6A5 Q9Y345 1/20 0.45
DAO P14920 1/20 0.44
SCN8A Q9UQD0 1/20 0.41
CYP3A4 P08684 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
HTR2C P28335 1/20 0.39
HAT1 O14929 1/20 0.39
EP300 Q09472 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL5541752 0.90 SLC6A5 (0.46) EPHX2LTA4HGPR84TRPV1SLC6A5
SCHEMBL5537500 0.89 SLC6A5 (0.47) EPHX2LTA4HGPR84TRPV1SLC6A5
SCHEMBL5540659 0.87 LTA4H (0.39) EPHX2LTA4HGPR84TRPV1SLC6A5
SCHEMBL514072 0.83 ADH1B (0.50) EPHX2SCN8ANR1H4HTR2C
SCHEMBL5543404 0.81 CHRM2 (0.58) TRPV1DAO
SCHEMBL584633 0.81 GPR84 (0.49) EPHX2LTA4HGPR84TRPV1DAO
SCHEMBL8763412 0.80 LMNA (0.50)
SCHEMBL23279377 0.79 MAPT (0.38) EPHX2LTA4HTRPV1SLC6A5CYP3A4
SCHEMBL5546757 0.78 SLC6A5 (0.37) EPHX2LTA4HGPR84TRPV1SLC6A5
SCHEMBL5537176 0.78 GPR84 (0.47) EPHX2LTA4HGPR84SLC6A5DAO

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 8 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
WO-2009145719-A1 ISOINDOLINE DERIVATIVES COMPRISING A CYANO GROUP AND THEIR USE IN THE TREATMENT OF PAIN DISORDERS ASTRAZENECA AB (SE) 2009-12-03 WO disclosed
WO-2009145721-A1 ISOINDOLINE DERIVATIVES COMPRISING PHENYL GROUPS AND THEIR USE IN THE TREATMENT OF PAIN DISORDERS ASTRAZENECA AB (SE) 2009-12-03 WO disclosed
WO-2009145718-A1 ISOINDOLINE DERIVATIVES COMPRISING AN ADDITIONAL HETEROCYCLIC GROUP AND THEIR USE IN THE TREATMENT OF PAIN DISORDERS ASTRAZENECA AB (SE) 2009-12-03 WO 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 EPHX2 3662/4885LTA4H 3452/4885GPR84 318/4885

“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.