SCHEMBL5544488

SCHEMBL5544488

[CH2]CCCCCN1CC=C(c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.47
PPARG P37231 2/20 0.43
PPARA Q07869 2/20 0.43
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
DRD2 P14416 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
SCHEMBL5544450 0.99 SIGMAR1 (0.48) SIGMAR1PPARGPPARAS1PR1S1PR3
SCHEMBL5535410 0.95 SIGMAR1 (0.46) SIGMAR1PPARGPPARAS1PR1S1PR3
SCHEMBL5542216 0.91 PPARG (0.47) SIGMAR1PPARGPPARAS1PR1S1PR3
SCHEMBL5547325 0.84 PPARG (0.42) SIGMAR1PPARGPPARAS1PR1S1PR3
SCHEMBL5536761 0.84 SIGMAR1 (0.65) SIGMAR1PPARGPPARA
SCHEMBL5541688 0.82 SIGMAR1 (0.67) SIGMAR1PPARGPPARA
SCHEMBL5535869 0.82 PPARG (0.48) SIGMAR1PPARGPPARAS1PR1S1PR3
SCHEMBL14438052 0.82 PPARG (0.51) SIGMAR1PPARGPPARA
SCHEMBL6367491 0.82 SIGMAR1 (0.44) SIGMAR1PPARGPPARAS1PR1S1PR3
SCHEMBL6367451 0.80 DRD2 (0.44) SIGMAR1PPARGPPARAS1PR1S1PR3

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 SIGMAR1 234/4885PPARG 856/4885PPARA 429/4885

“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.