SCHEMBL5542895

SCHEMBL5542895

Cc1cc(C)c(CN2CCN(c3ccc(O)cc3)CC2)c(C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.55
DRD2 P14416 1/20 0.50
DRD3 P35462 1/20 0.50
GAA P10253 5/20 0.49
PARP1 P09874 2/20 0.49
PARP2 Q9UGN5 2/20 0.49
LMNA P02545 4/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
KDM4E B2RXH2 5/20 0.46
MAPT P10636 4/20 0.46
RXFP1 Q9HBX9 2/20 0.46
ALDH1A1 P00352 4/20 0.45
PKM P14618 1/20 0.45
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL5542890 0.85 KDM4E (0.45) DRD4DRD2DRD3GAALMNA
SCHEMBL5535567 0.78 DRD4 (0.71) DRD4DRD2DRD3GAALMNA
SCHEMBL5536329 0.78 DRD4 (0.61) DRD4DRD2DRD3GAALMNA
SCHEMBL5546075 0.74 GAA (0.52) DRD4DRD2DRD3GAALMNA
SCHEMBL10498349 0.74 MAPT (0.62) DRD4GAALMNAHPGDALOX15
SCHEMBL24452939 0.73 MAPT (0.67) DRD4DRD2DRD3GAALMNA
SCHEMBL11891933 0.73 HRH3 (0.52) GAALMNAHPGDALOX15KDM4E
SCHEMBL5536775 0.73 DRD4 (0.68) DRD4DRD2DRD3GAAPARP1
SCHEMBL27921073 0.72 DRD4 (0.71) DRD4DRD2DRD3GAALMNA
SCHEMBL7041242 0.72 MAPT (0.68) DRD4DRD2DRD3GAALMNA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
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
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN 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 DRD4 368/4885DRD2 542/4885DRD3 132/4885

“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.