SCHEMBL5539086

SCHEMBL5539086

O=[C]CN1CCN(Cc2cc(OC(F)(F)F)cc(OC(F)(F)F)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 4/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ LSS P48449 1/20 0.39
▸ DDR1 Q08345 3/20 0.38
▸ DRD4 P21917 2/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ OPRM1 P35372 1/20 0.37
▸ BCHE P06276 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ MAOA P21397 1/20 0.36
▸ PHGDH O43175 1/20 0.35

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
SCHEMBL5536269 0.85 ALDH1A1 (0.67) ALDH1A1TSHRLSSDRD4DRD2
SCHEMBL5542661 0.79 MGLL (0.47) MGLLALDH1A1
SCHEMBL5541063 0.77 CYP2D6 (0.51) ALDH1A1TSHR
SCHEMBL5543984 0.75 EPHX2 (0.50) ALDH1A1ACHE
SCHEMBL5546027 0.72 CETP (0.36) MGLLCHRM3
SCHEMBL5541648 0.71 KDM4E (0.63) ALDH1A1
SCHEMBL27999970 0.70 MGLL (0.53) MGLLALDH1A1TSHRLSSDDR1
SCHEMBL29177190 0.70 ABL1 (0.50) MGLLALDH1A1TSHRLSSABL1
SCHEMBL27292140 0.69 KCNH2 (0.47) MGLLALDH1A1TSHRDRD4ABL1
SCHEMBL5540691 0.68 WDR5 (0.36) MGLLCHRM3

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
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
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 MGLL 4717/4885ALDH1A1 355/4885TSHR 319/4885

“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.

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