SCHEMBL5544670

SCHEMBL5544670

[CH2]CCCCN1CCN(C(=O)OCc2cccc(F)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.51
TMEM97 Q5BJF2 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 3/20 0.46
SLC6A3 Q01959 3/20 0.46
DRD2 P14416 2/20 0.46
SLC6A4 P31645 1/20 0.46
BCHE P06276 1/20 0.45
HRH1 P35367 3/20 0.44
HTR2A P28223 3/20 0.44
HRH2 P25021 2/20 0.44
HTR1A P08908 2/20 0.44
DRD4 P21917 2/20 0.44
OPRM1 P35372 2/20 0.44
CACNA1F O60840 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
DRD5 P21918 1/20 0.44
ADRA1D P25100 1/20 0.44

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
SCHEMBL5537533 0.96 GRIN2B (0.52) GRIN2BTMEM97SIGMAR1KDM4EALDH1A1
SCHEMBL5542082 0.92 GRIN2B (0.53) GRIN2BTMEM97SIGMAR1KDM4EALDH1A1
SCHEMBL5541594 0.87 HRH1 (0.55) GRIN2BTMEM97SIGMAR1LMNASLC6A3
SCHEMBL5542172 0.87 NPSR1 (0.56) TMEM97SIGMAR1KDM4EALDH1A1HRH1
SCHEMBL5537253 0.86 MEN1 (0.48) SIGMAR1BCHEHRH1HRH2HTR1A
SCHEMBL5545410 0.86 HRH1 (0.54) GRIN2BTMEM97SIGMAR1LMNASLC6A3
SCHEMBL27610472 0.85 NPSR1 (0.54) TMEM97SIGMAR1KDM4EALDH1A1HRH1
SCHEMBL5544798 0.85 KMT2A (0.48) SIGMAR1KDM4EALDH1A1LMNADRD2
SCHEMBL5535289 0.84 FNTA (0.53) SIGMAR1ALDH1A1LMNADRD2HRH1
SCHEMBL5544486 0.83 HRH1 (0.56) GRIN2BTMEM97SIGMAR1LMNASLC6A3

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 GRIN2B 504/4885TMEM97 335/4885SIGMAR1 234/4885

“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.