SCHEMBL5536269

SCHEMBL5536269

O=[C]CN1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.67
▸ TSHR P16473 1/20 0.67
▸ LSS P48449 1/20 0.52
▸ BCHE P06276 3/20 0.50
▸ ACHE P22303 3/20 0.50
▸ BACE1 P56817 3/20 0.50
▸ TEAD1 P28347 3/20 0.48
▸ LMNA P02545 1/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ DRD4 P21917 4/20 0.47
▸ DRD2 P14416 3/20 0.47
▸ NAMPT P43490 1/20 0.47
▸ DRD3 P35462 2/20 0.46
▸ CHRM5 P08912 1/20 0.45
▸ PHGDH O43175 1/20 0.45
▸ PPARD Q03181 1/20 0.44
▸ PPARA Q07869 1/20 0.44

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
SCHEMBL5539086 0.85 MGLL (0.48) ALDH1A1TSHRLSSBCHEACHE
SCHEMBL5541648 0.80 KDM4E (0.63) ALDH1A1TEAD1
SCHEMBL2056136 0.80 ALDH1A1 (1.00) ALDH1A1TSHRLSSBCHEACHE
SCHEMBL24478089 0.80 ALDH1A1 (0.71) ALDH1A1TSHRBCHEACHEBACE1
SCHEMBL28510599 0.79 ALDH1A1 (0.67) ALDH1A1TSHRLSSBCHEACHE
SCHEMBL12625981 0.79 ALDH1A1 (0.66) ALDH1A1TSHRLSSBCHEACHE
SCHEMBL5542731 0.78 ALDH1A1 (0.65) ALDH1A1TSHRLSSBCHEACHE
SCHEMBL14997913 0.78 ALDH1A1 (0.73) ALDH1A1TSHRLSSBCHEACHE
SCHEMBL22516896 0.77 ALDH1A1 (0.68) ALDH1A1TSHRLSSLMNADRD4
SCHEMBL2089924 0.77 ALDH1A1 (0.68) ALDH1A1TSHRLSSBCHEACHE

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 7 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
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 ALDH1A1 355/4885TSHR 319/4885LSS 2164/4885

“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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