SCHEMBL5543557

SCHEMBL5543557

[CH2]CCC(C)c1ccc(C#N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.45
GRIA2 P42262 1/20 0.45
GRIA3 P42263 1/20 0.45
GRIA4 P48058 1/20 0.45
CYP2A6 P11509 2/20 0.41
ALDH1A1 P00352 1/20 0.40
LOXL2 Q9Y4K0 2/20 0.38
CYP19A1 P11511 11/20 0.38
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA6 P23280 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
FFAR1 O14842 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL18552777 0.82 CYP2A6 (0.47) GRIA1GRIA2GRIA3GRIA4CYP2A6
SCHEMBL5545605 0.80 CNR1 (0.43)
SCHEMBL18500965 0.79 TSHR (0.45) GRIA1GRIA2GRIA3GRIA4CYP2A6
SCHEMBL25985067 0.78 GRIA2 (0.54) GRIA1GRIA2GRIA3GRIA4CYP2A6
SCHEMBL10018734 0.78 GRIA2 (0.54) GRIA1GRIA2GRIA3GRIA4CYP2A6
SCHEMBL26205757 0.78 CYP2A6 (0.50) GRIA1GRIA2GRIA3GRIA4CYP2A6
SCHEMBL2758516 0.78 CYP2A6 (0.50) GRIA1GRIA2GRIA3GRIA4CYP2A6
SCHEMBL8737419 0.78 CYP2A6 (0.50) GRIA1GRIA2GRIA3GRIA4CYP2A6
SCHEMBL19464663 0.77 TSHR (0.50) GRIA1GRIA2GRIA3GRIA4CYP2A6
SCHEMBL21275418 0.76 TAAR1 (0.54) GRIA1GRIA2GRIA3GRIA4CYP2A6

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 5 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
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 GRIA1 95/4885GRIA2 89/4885GRIA3 55/4885

“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.