SCHEMBL5542213

SCHEMBL5542213

CC(C)Cc1cccc2c1NCCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
SLC13A5 Q86YT5 1/20 0.34
REN P00797 1/20 0.34
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
PRCP P42785 1/20 0.33
F2 P00734 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
ALOX15 P16050 1/20 0.31
CASP1 P29466 1/20 0.31

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
SCHEMBL9358469 0.81 SRC (0.49) SRCGABRA1GABRB2ADORA2AADORA1
SCHEMBL31310576 0.81 SRC (0.49) SRCGABRA1GABRB2ADORA2AADORA1
SCHEMBL10911692 0.79 SRC (0.43) SRCADORA2AADORA1SLC13A5REN
SCHEMBL9012495 0.78 SRC (0.49) SRCADORA2AADORA1SLC13A5REN
SCHEMBL30487798 0.78 SRC (0.49) SRCADORA2AADORA1SLC13A5REN
SCHEMBL5542208 0.77 SRC (0.49) SRCADORA2AADORA1SLC13A5REN
SCHEMBL21921081 0.77 ADORA2A (0.44) SRCADORA2AADORA1SLC13A5REN
SCHEMBL2093703 0.75 SRC (0.40) SRCADORA2AADORA1SLC13A5REN
SCHEMBL9910075 0.75 SRC (0.49) SRCGABRA1GABRB2ADORA2AADORA1
SCHEMBL19772860 0.74 GABRA1 (0.42) GABRA1GABRB2HTR2CHTR2B

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 SRC 4684/4885GABRA1 692/4885GABRB2 554/4885

“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.