SCHEMBL5541619

SCHEMBL5541619

CC1(CN2C(=O)OCc3ccccc32)CO1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B3 P37058 1/20 0.38
▸ NR3C2 P08235 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ HTR6 P50406 3/20 0.35
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ OXTR P30559 3/20 0.33
▸ NOTUM Q6P988 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ PTAFR P25105 1/20 0.33
▸ AVPR1A P37288 2/20 0.33
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL5538135 0.79 NOTUM (0.46) NOTUM
SCHEMBL14621343 0.79 MAOA (0.40) HSD17B3NR3C2CYP3A4CYP2D6CYP2C9
SCHEMBL20548891 0.76 ADRA2A (0.48) HSD17B3CYP3A4CYP2D6HTR6MAOA
SCHEMBL5537134 0.75 ALDH1A1 (0.47) HSD17B3CYP2C9ALDH1A1MEN1CYP2C19
SCHEMBL28412277 0.73 POLB (0.40) NR3C2CYP3A4CYP2D6CYP2C9HTR6
SCHEMBL5544559 0.72 KCNH2 (0.47) HTR6ALDH1A1
SCHEMBL9384361 0.72 MAOA (0.46) HSD17B3NR3C2CYP3A4CYP2D6CYP2C9
SCHEMBL5546718 0.71 TP53 (0.49) CYP3A4CYP2D6CYP2C9ALDH1A1MEN1
SCHEMBL787920 0.71 ALDH1A1 (0.41) HSD17B3CYP2C9ALDH1A1MEN1CYP2C19
SCHEMBL3289588 0.70 ALDH1A1 (0.47) CYP2C9ALDH1A1CYP2C19

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 HSD17B3 111/4885NR3C2 13/4885CYP3A4 1683/4885

“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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