SCHEMBL5544309

SCHEMBL5544309

O=CCCN1CCN(C(=O)OCc2cccc(Cl)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 6/20 0.47
ATXN2 Q99700 1/20 0.46
HCAR2 Q8TDS4 1/20 0.46
ATM Q13315 1/20 0.44
HTR1A P08908 4/20 0.44
HTR7 P34969 3/20 0.44
KCNH2 Q12809 1/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
FAAH O00519 1/20 0.43
LMNA P02545 2/20 0.42
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 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
SCHEMBL5547593 0.93 MEN1 (0.47) ENPP2ATXN2HCAR2ATMHTR1A
SCHEMBL5542106 0.92 MEN1 (0.46) ENPP2ATXN2HCAR2ATMHTR1A
SCHEMBL5537454 0.87 ENPP2 (0.49) ENPP2ATXN2HCAR2ATMHTR1A
SCHEMBL5537966 0.85 MEN1 (0.57) ENPP2HTR1AHTR7KMT2AMEN1
SCHEMBL27610405 0.85 MEN1 (0.49) ENPP2ATXN2HCAR2ATMHTR1A
SCHEMBL5544299 0.84 ENPP2 (0.47) ENPP2ATXN2HCAR2ATMHTR1A
SCHEMBL5537253 0.84 MEN1 (0.48) ENPP2ATXN2HCAR2ATMHTR1A
SCHEMBL5541721 0.83 ENPP2 (0.50) ENPP2ATXN2HCAR2ATMKCNH2
SCHEMBL28015689 0.83 HRH2 (0.48) ENPP2ATXN2HTR7KMT2AMEN1
SCHEMBL5547587 0.82 MEN1 (0.47) ENPP2ATXN2HCAR2ATMHTR1A

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 ENPP2 2915/4885ATXN2 3603/4885HCAR2 393/4885

“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.