SCHEMBL5540772

SCHEMBL5540772

[CH2]CN(C)c1ccccc1OC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.41
SLC6A4 P31645 3/20 0.41
SLC6A2 P23975 3/20 0.41
DRD2 P14416 4/20 0.38
HCRTR1 O43613 4/20 0.35
HCRTR2 O43614 4/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
HTR6 P50406 1/20 0.34
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSD11B1 P28845 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.32
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KCNK3 O14649 1/20 0.31
KCNK9 Q9NPC2 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
SCHEMBL5535666 0.87 SLC6A3 (0.39) SLC6A3SLC6A4SLC6A2DRD2HCRTR1
SCHEMBL5539368 0.84 SLC6A3 (0.38) SLC6A3SLC6A4SLC6A2DRD2HCRTR1
SCHEMBL5535136 0.78 CA1 (0.46) SLC6A4SLC6A2ALDH1A1L3MBTL1
SCHEMBL5539229 0.74 ESR1 (0.39) ALDH1A1L3MBTL1HSD11B1POLB
SCHEMBL18837748 0.74 SLC6A3 (0.39) SLC6A3SLC6A4SLC6A2DRD2RXRA
SCHEMBL5546043 0.70 TAAR1 (0.39) SLC6A3SLC6A4SLC6A2ALDH1A1
SCHEMBL4654446 0.70 RXRA (0.47) SLC6A3SLC6A4SLC6A2RXRARXRB
SCHEMBL9091197 0.69 RXRA (0.36) SLC6A3SLC6A4SLC6A2DRD2RXRA
SCHEMBL23060420 0.69 GAA (0.47) HCRTR1HCRTR2RXRARXRBRXRG
SCHEMBL2089098 0.68 RXRA (0.49) SLC6A3SLC6A4SLC6A2DRD2RXRA

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 SLC6A3 1944/4885SLC6A4 4191/4885SLC6A2 3396/4885

“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.