SCHEMBL5543352

SCHEMBL5543352

O=CNCCc1ccccc1OC(F)(F)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA5A P35218 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
MPO P05164 1/20 0.35
TRPV1 Q8NER1 2/20 0.33
CHRM2 P08172 2/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
HSD17B13 Q7Z5P4 1/20 0.32
DRD2 P14416 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
GRIN1 Q05586 2/20 0.32

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 0.88 DRD2 (0.41) MTNR1AMTNR1BCA12CA1CA2
SCHEMBL5538447 0.85 ADH1B (0.41) CHRM2KDM4EALDH1A1GRIN1GRIN2A
SCHEMBL5543345 0.79 MTNR1A (0.36) MTNR1AMTNR1BCA12CA1CA2
SCHEMBL5539433 0.79 DRD2 (0.40) MPOTRPV1HSD17B13DRD2SLC6A3
SCHEMBL5536278 0.78 CHRM2 (0.33) CHRM2CHRM1CHRM3DRD2SLC6A3
SCHEMBL2470010 0.76 MTNR1A (0.59) MTNR1AMTNR1BCA12CA1CA2
SCHEMBL5545714 0.75 GRIN1 (0.33) SLC6A3ALDH1A1GRIN1
Trifluoroacetic Acid SCHEMBL5071530 0.75 MTNR1A (0.55) MTNR1AMTNR1BCA12CA1CA2
SCHEMBL8763407 0.75 ADH1B (0.46) MTNR1AMTNR1BCA12CA2CA9
SCHEMBL2093698 0.74 TAAR1 (0.55) MPODRD2SLC6A3TAAR1

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 MTNR1A 1560/4885MTNR1B 1562/4885CA12 1998/4885

“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.