SCHEMBL5535616

SCHEMBL5535616

O=COC1CCN(c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.51
CYP3A4 P08684 4/20 0.47
CA12 O43570 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
AKR1C3 P42330 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
DEGS1 O15121 1/20 0.43
MAOB P27338 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
ME2 P23368 1/20 0.40
ME1 P48163 1/20 0.40
ME3 Q16798 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SERPINE1 P05121 1/20 0.39
DHFR P00374 1/20 0.39
CHRM2 P08172 1/20 0.38
SLC6A9 P48067 1/20 0.38

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
SCHEMBL5542382 0.88 NOTUM (0.40) NOTUMCYP3A4CA12CA2CA9
SCHEMBL5542885 0.84 ADRB1 (0.50) NOTUM
SCHEMBL5539231 0.82 NOTUM (0.55) NOTUMHRH3
SCHEMBL6955998 0.81 CHKA (0.48) CYP3A4HRH3MAOB
SCHEMBL12419722 0.81 NOTUM (0.54) NOTUMCYP3A4CA12CA2CA9
SCHEMBL5540472 0.81 MAPT (0.47) AKR1C3GPR119
SCHEMBL5536223 0.80 MBTD1 (0.47) NOTUMCYP3A4GPR119
SCHEMBL5535612 0.80 NOTUM (0.50) NOTUMCYP3A4CA12CA2CA9
SCHEMBL17754020 0.76 CYP3A4 (0.51) NOTUMCYP3A4CA12CA2CA9
SCHEMBL382206 0.76 NOTUM (0.56) NOTUMCA12CA2CA9AKR1C3

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 NOTUM 3827/4885CYP3A4 1683/4885CA12 1998/4885

“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.