SCHEMBL5535622

SCHEMBL5535622

O=CN1CCN(C(=O)OCc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 4/20 0.48
ATXN2 Q99700 3/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
HPGD P15428 1/20 0.44
TACR1 P25103 1/20 0.43
ME2 P23368 1/20 0.43
ME1 P48163 1/20 0.43
ME3 Q16798 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
FAAH O00519 1/20 0.42
MMP1 P03956 1/20 0.41
MMP12 P39900 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
SCHEMBL542677 0.85 MEN1 (0.53) ENPP2ATXN2MEN1KMT2ANPSR1
SCHEMBL5537103 0.84 ENPP2 (0.49) ENPP2ATXN2MEN1KMT2ANPSR1
SCHEMBL5537108 0.84 ENPP2 (0.49) ENPP2ATXN2MEN1KMT2ANPSR1
SCHEMBL543231 0.83 MEN1 (0.55) ENPP2ATXN2MEN1KMT2ANPSR1
SCHEMBL4771391 0.83 MEN1 (0.64) MEN1KMT2ANPSR1SMN1; SMN2RAB9A
SCHEMBL5534524 0.82 MEN1 (0.56) MEN1KMT2ANPSR1SMN1; SMN2RAB9A
SCHEMBL5535617 0.82 ENPP2 (0.48) ENPP2ATXN2MEN1KMT2ANPSR1
SCHEMBL542664 0.81 ENPP2 (0.52) ENPP2ATXN2MEN1KMT2ANPSR1
SCHEMBL5547010 0.81 SIGMAR1 (0.45) ENPP2ATXN2SMN1; SMN2HPGDFAAH
Hydrochloric Acid SCHEMBL4681490 0.80 ENPP2 (0.51) ENPP2ATXN2MEN1KMT2ANPSR1

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 ENPP2 2915/4885ATXN2 3603/4885MEN1 3295/4885

“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.