SCHEMBL5540104

SCHEMBL5540104

O=CCCCCCN1CCN(C(=O)OCc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
ENPP2 Q13822 4/20 0.42
ATXN2 Q99700 3/20 0.42
SLC6A5 Q9Y345 3/20 0.41
HRH2 P25021 3/20 0.40
HRH1 P35367 3/20 0.40
DRD2 P14416 2/20 0.40
DRD4 P21917 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
CACNA1F O60840 1/20 0.40
HTR1A P08908 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
DRD5 P21918 1/20 0.40
ADRA1D P25100 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR7 P34969 1/20 0.40
ADRA1A P35348 1/20 0.40

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
SCHEMBL5546154 0.99 SIGMAR1 (0.45) TMEM97SIGMAR1ENPP2ATXN2SLC6A5
SCHEMBL5547010 0.96 SIGMAR1 (0.45) TMEM97SIGMAR1ENPP2ATXN2SLC6A5
SCHEMBL5540041 0.88 HRH1 (0.52) TMEM97SIGMAR1HRH2HRH1DRD2
SCHEMBL5537867 0.87 HRH2 (0.55) SIGMAR1ENPP2ATXN2HRH2HRH1
SCHEMBL5540479 0.87 SIGMAR1 (0.45) TMEM97SIGMAR1ENPP2ATXN2SLC6A5
SCHEMBL5543766 0.86 HRH1 (0.53) TMEM97SIGMAR1HRH2HRH1DRD2
SCHEMBL5547332 0.86 KMT2A (0.47) SIGMAR1ENPP2ATXN2DRD2DRD3
SCHEMBL5546589 0.86 HRH2 (0.56) SIGMAR1ENPP2ATXN2HRH2HRH1
SCHEMBL27629720 0.85 SLC6A5 (0.51) TMEM97SIGMAR1ENPP2ATXN2SLC6A5
SCHEMBL5543858 0.85 SIGMAR1 (0.46) TMEM97SIGMAR1ENPP2ATXN2SLC6A5

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 6 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
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN 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 TMEM97 335/4885SIGMAR1 234/4885ENPP2 2915/4885

“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.