SCHEMBL5544112

SCHEMBL5544112

[O]c1ccc(N2CCN(Cc3ccc(F)cc3)CC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.74
GAA P10253 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
DRD4 P21917 7/20 0.58
DRD2 P14416 4/20 0.58
DRD3 P35462 4/20 0.58
KDM4E B2RXH2 2/20 0.58
POLB P06746 1/20 0.56
DRD5 P21918 2/20 0.52
HTR1A P08908 1/20 0.52
DRD1 P21728 1/20 0.52
HTR2A P28223 1/20 0.52
TMEM97 Q5BJF2 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
ADRA1D P25100 1/20 0.52
ADRA1A P35348 1/20 0.52
ADRA1B P35368 1/20 0.52

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
SCHEMBL5544927 0.85 MAPT (0.71) MAPTGAAL3MBTL1DRD4DRD2
SCHEMBL5988539 0.85 MAPT (0.77) MAPTGAAL3MBTL1DRD4DRD2
SCHEMBL6031666 0.85 MAPT (1.00) MAPTGAAL3MBTL1DRD4DRD2
SCHEMBL5535565 0.84 ALDH1A1 (0.57) MAPTDRD4DRD2DRD3KDM4E
SCHEMBL18177894 0.84 MAPT (0.74) MAPTGAAL3MBTL1DRD4DRD2
SCHEMBL5544114 0.84 MAPT (0.74) MAPTGAAL3MBTL1DRD4DRD2
SCHEMBL11551400 0.84 MAPT (0.74) MAPTGAAL3MBTL1DRD4DRD2
Bromide SCHEMBL6030792 0.84 MAPT (0.97) MAPTGAAL3MBTL1DRD4DRD2
SCHEMBL6698551 0.84 MAPT (0.74) MAPTGAAL3MBTL1DRD4DRD2
SCHEMBL7512967 0.83 DRD4 (0.77) MAPTGAAL3MBTL1DRD4DRD2

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 MAPT 4117/4885GAA 4165/4885L3MBTL1 1931/4885

“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.