SCHEMBL5543923

SCHEMBL5543923

[CH2]CCCN1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TLR8 Q9NR97 1/20 0.46
CHRM2 P08172 2/20 0.45
CHRM1 P11229 2/20 0.45
CHRM4 P08173 1/20 0.45
CHRM3 P20309 1/20 0.45
ACKR3 P25106 4/20 0.44
EPHX2 P34913 3/20 0.43
HPGD P15428 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
STAT3 P40763 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
SCHEMBL5544400 0.95 USP2 (0.46) USP2SMN1; SMN2TLR8CHRM2CHRM1
SCHEMBL5547159 0.94 USP2 (0.45) USP2SMN1; SMN2TLR8CHRM2CHRM1
SCHEMBL1785864 0.90 USP2 (0.50) USP2SMN1; SMN2TLR8CHRM2CHRM1
SCHEMBL20873847 0.90 USP2 (0.53) USP2SMN1; SMN2TLR8CHRM2CHRM1
SCHEMBL8253901 0.88 USP2 (0.51) USP2SMN1; SMN2TLR8CHRM2CHRM1
SCHEMBL8242595 0.86 USP2 (0.61) USP2SMN1; SMN2TLR8CHRM2CHRM1
SCHEMBL4543892 0.85 TLR8 (0.55) USP2SMN1; SMN2TLR8CHRM2CHRM1
SCHEMBL5216019 0.85 USP2 (0.49) USP2SMN1; SMN2TLR8CHRM2CHRM1
SCHEMBL214593 0.85 USP2 (0.49) USP2SMN1; SMN2TLR8CHRM2CHRM1
SCHEMBL17782085 0.85 HPGD (0.49) USP2SMN1; SMN2TLR8CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016061393-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE XENOPORT, INC. (US) 2016-04-21 WO disclosed
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 USP2 3074/4885SMN1; SMN2 3985/4885TLR8 1198/4885

“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.