SCHEMBL5541511

SCHEMBL5541511

C[CH]N1CC=C(c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
SCN9A Q15858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
QDPR P09417 1/20 0.36
KIF11 P52732 1/20 0.36
NISCH Q9Y2I1 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
GALR1 P47211 1/20 0.36
SCN5A Q14524 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
ENPP2 Q13822 1/20 0.35
GRM2 Q14416 1/20 0.35

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
SCHEMBL5544887 0.82 QDPR (0.57) ALDH1A1QDPR
SCHEMBL5544864 0.79 L3MBTL1 (0.39) ALDH1A1TSHRSCN9AL3MBTL1MMP2
SCHEMBL14438052 0.76 PPARG (0.51) ALDH1A1TSHRPPARGPPARAMEN1
SCHEMBL5547325 0.75 PPARG (0.42) ALDH1A1TSHRSCN9APPARGPPARA
SCHEMBL20582537 0.75 PPARG (0.45) ALDH1A1TSHRSCN9AMMP2MMP3
SCHEMBL940673 0.75 NAMPT (0.56)
SCHEMBL4949303 0.74 TRPV1 (0.45) ALDH1A1TSHRSCN9AL3MBTL1QDPR
SCHEMBL5542216 0.74 PPARG (0.47) ALDH1A1TSHRPPARGPPARAMEN1
SCHEMBL2299857 0.74 MMP2 (0.44) ALDH1A1TSHRSCN9AMMP2MMP3
SCHEMBL5535869 0.73 PPARG (0.48) ALDH1A1PPARGPPARAMEN1KMT2A

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 8 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 claimed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US claimed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US claimed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP claimed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 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 ALDH1A1 355/4885TSHR 319/4885SCN9A 3612/4885

“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.