SCHEMBL5542885

SCHEMBL5542885

O=COC1CCN(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.50
FFAR4 Q5NUL3 7/20 0.47
DPP4 P27487 3/20 0.41
NOTUM Q6P988 2/20 0.38
POLB P06746 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR1D P28221 1/20 0.36
HTR2C P28335 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
MAPT P10636 2/20 0.35
THRB P10828 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
LIPG Q9Y5X9 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
SCHEMBL5539231 0.85 NOTUM (0.55) NOTUMPOLBALDH1A1HTR3EHTR3B
SCHEMBL5535616 0.84 NOTUM (0.51) NOTUM
SCHEMBL5542879 0.80 ADRB1 (0.49) ADRB1FFAR4DPP4NOTUMPOLB
SCHEMBL5541996 0.77 NOTUM (0.44) NOTUMPOLBALDH1A1HTR3EHTR3B
SCHEMBL5542382 0.76 NOTUM (0.40) NOTUMPOLBALDH1A1MAPTCYP2C9
SCHEMBL5536223 0.73 MBTD1 (0.47) ADRB1FFAR4NOTUMPOLBALDH1A1
SCHEMBL6498968 0.73 NOTUM (0.62) ADRB1FFAR4NOTUMPOLBCYP2C9
SCHEMBL29141963 0.73 ACACB (0.47) ADRB1FFAR4DPP4NOTUMLIPG
SCHEMBL19011735 0.72 ADRB1 (0.68) ADRB1FFAR4DPP4POLBALDH1A1
SCHEMBL5540472 0.71 MAPT (0.47) ADRB1ALDH1A1MAPT

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 ADRB1 150/4885FFAR4 338/4885DPP4 3965/4885

“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.