SCHEMBL5539220

SCHEMBL5539220

[CH2]CCN1CCN(C(=O)OCC)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
HTT P42858 3/20 0.53
POLB P06746 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HRH2 P25021 8/20 0.52
HRH1 P35367 8/20 0.52
KMT2A Q03164 5/20 0.52
MAPT P10636 2/20 0.52
TSHR P16473 2/20 0.50
RECQL P46063 1/20 0.50
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
MEN1 O00255 1/20 0.49

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
SCHEMBL5537946 0.89 HRH2 (0.53) ALDH1A1HTTPOLBSMN1; SMN2HRH2
SCHEMBL5542649 0.88 HRH2 (0.52) ALDH1A1HTTPOLBSMN1; SMN2HRH2
SCHEMBL5540683 0.86 HRH2 (0.51) ALDH1A1HTTPOLBSMN1; SMN2HRH2
SCHEMBL5539553 0.85 ALDH1A1 (0.56) ALDH1A1HTTPOLBSMN1; SMN2MAPT
SCHEMBL9051052 0.85 ALDH1A1 (0.56) ALDH1A1HTTPOLBSMN1; SMN2HRH2
Hydrochloric Acid SCHEMBL27445572 0.83 ALDH1A1 (0.58) ALDH1A1HTTPOLBSMN1; SMN2HRH2
SCHEMBL771744 0.83 HRH2 (0.45) ALDH1A1HTTHRH2HRH1KMT2A
SCHEMBL13845058 0.83 ALDH1A1 (0.55) ALDH1A1HTTPOLBSMN1; SMN2HRH2
SCHEMBL10985089 0.82 ALDH1A1 (0.72) ALDH1A1HTTPOLBSMN1; SMN2KMT2A
SCHEMBL1684895 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
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
CN-101255170-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN disclosed
CN-101172981-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-05-07 CN disclosed
CN-100366624-C 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-02-06 CN 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 ALDH1A1 355/4885HTT 4644/4885POLB 1637/4885

“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.