SCHEMBL5545576

SCHEMBL5545576

O=CNCCCc1cccc(OC(F)(F)C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
CNR1 P21554 1/20 0.39
PPARG P37231 3/20 0.39
PPARA Q07869 3/20 0.39
BCHE P06276 1/20 0.39
DAO P14920 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
KCNH2 Q12809 2/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL5539752 0.97 CHRM2 (0.44) CHRM2CHRM1CHRM3MTNR1AMTNR1B
SCHEMBL5544721 0.92 CHRM2 (0.46) CHRM2CHRM1CHRM3CNR1BCHE
SCHEMBL5540089 0.89 CHRM2 (0.55) CHRM2CHRM1CHRM3MTNR1AMTNR1B
SCHEMBL5540838 0.83 ADH1B (0.46) CHRM2CHRM1CHRM3BCHEKDM4E
SCHEMBL5546757 0.83 SLC6A5 (0.37) PPARABCHETRPV1MEN1KMT2A
SCHEMBL5545572 0.82 MTNR1A (0.41) CHRM2CHRM1CHRM3MTNR1AMTNR1B
SCHEMBL5543404 0.81 CHRM2 (0.58) CHRM2CHRM1CHRM3CNR1DAO
SCHEMBL5539748 0.81 PPARG (0.41) CHRM2CHRM1CHRM3MTNR1AMTNR1B
SCHEMBL5542494 0.80 CHRM2 (0.45) CHRM2CHRM1CHRM3CNR1PPARG
SCHEMBL5535738 0.79 CHRM2 (0.44) CHRM2CHRM1CHRM3CNR1PPARG

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 CHRM2 862/4885CHRM1 463/4885CHRM3 597/4885

“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.