SCHEMBL5539433

SCHEMBL5539433

O=CNCCCc1ccccc1OC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.40
SLC6A3 Q01959 4/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MPO P05164 1/20 0.39
TRPV1 Q8NER1 2/20 0.39
GRIN2B Q13224 2/20 0.38
GRIN1 Q05586 1/20 0.38
SLC6A2 P23975 1/20 0.38
VNN1 O95497 1/20 0.37
EPHX2 P34913 1/20 0.37
PPARG P37231 1/20 0.37
HSD17B13 Q7Z5P4 1/20 0.36

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
SCHEMBL5542271 0.91 DRD2 (0.41) DRD2SLC6A3HDAC3HDAC1HDAC2
SCHEMBL5536287 0.81 HDAC3 (0.48) DRD2SLC6A3HDAC3HDAC1HDAC2
SCHEMBL13801236 0.80 MPO (0.58) MPOGRIN1
SCHEMBL5534989 0.80 SLC6A3 (0.44) DRD2SLC6A3HDAC3HDAC1HDAC2
SCHEMBL5539430 0.79 DRD2 (0.40) DRD2SLC6A3HDAC3HDAC1HDAC2
SCHEMBL5543352 0.79 MTNR1A (0.36) DRD2SLC6A3MPOTRPV1GRIN1
SCHEMBL5541626 0.78 SLC6A3 (0.40) DRD2SLC6A3HDAC3HDAC1HDAC2
SCHEMBL5540871 0.77 HDAC1 (0.48) HDAC1EPHX2
SCHEMBL17288587 0.74 SLC6A3 (0.45) DRD2SLC6A3HDAC3HDAC1HDAC2
SCHEMBL2088592 0.74 TAAR1 (0.46) DRD2SLC6A3HDAC3HDAC1HDAC2

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 DRD2 542/4885SLC6A3 1944/4885HDAC3 108/4885

“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.