SCHEMBL5537863

SCHEMBL5537863

O=[C]CCCCCN1CCN(C(=O)OCc2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 2/20 0.55
HRH1 P35367 2/20 0.55
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ENPP2 Q13822 8/20 0.46
ATXN2 Q99700 5/20 0.45
DGAT2 Q96PD7 1/20 0.42
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
PGGT1B P53609 1/20 0.42
ACHE P22303 1/20 0.41
ADORA3 P0DMS8 2/20 0.41
HTR2A P28223 2/20 0.41
HTR7 P34969 2/20 0.41
OPRM1 P35372 2/20 0.41
CACNA1F O60840 1/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41

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
SCHEMBL5546585 0.99 HRH2 (0.56) HRH2HRH1ALDH1A1LMNASMN1; SMN2
SCHEMBL5535956 0.96 HRH2 (0.57) HRH2HRH1ALDH1A1LMNASMN1; SMN2
SCHEMBL5539102 0.87 HRH2 (0.57) HRH2HRH1ALDH1A1LMNASMN1; SMN2
SCHEMBL5540097 0.87 TMEM97 (0.44) HRH2HRH1SMN1; SMN2ENPP2ATXN2
SCHEMBL5539203 0.87 FNTA (0.53) HRH2HRH1ALDH1A1LMNASMN1; SMN2
SCHEMBL5537935 0.86 HRH2 (0.58) HRH2HRH1ALDH1A1LMNASMN1; SMN2
SCHEMBL27629745 0.86 HRH2 (0.64) HRH2HRH1ALDH1A1LMNASMN1; SMN2
SCHEMBL5546149 0.86 TMEM97 (0.45) HRH2HRH1SMN1; SMN2ENPP2ATXN2
SCHEMBL5540034 0.86 HRH1 (0.52) HRH2HRH1LMNAADORA3HTR2A
SCHEMBL5537867 0.85 HRH2 (0.55) HRH2HRH1ALDH1A1LMNASMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HRH2 730/4885HRH1 668/4885ALDH1A1 355/4885

“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.