SCHEMBL5541063

SCHEMBL5541063

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 7/20 0.51
▸ CYP3A4 P08684 7/20 0.51
▸ USP2 O75604 5/20 0.50
▸ CYP2C19 P33261 4/20 0.50
▸ CYP1A2 P05177 2/20 0.50
▸ CASP1 P29466 1/20 0.50
▸ CASP5 P51878 1/20 0.50
▸ TSHR P16473 6/20 0.47
▸ HPGD P15428 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ LMNA P02545 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ TACR1 P25103 1/20 0.42

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
SCHEMBL5541648 0.84 KDM4E (0.63) CASP1CASP5ALDH1A1KDM4EHIF1A
SCHEMBL8974017 0.81 ALDH1A1 (0.60) CYP2D6CYP3A4USP2CYP2C19CYP1A2
SCHEMBL6028265 0.79 ALDH1A1 (0.67) CYP2D6CYP3A4USP2CYP2C19CYP1A2
SCHEMBL19625264 0.78 CYP2D6 (0.55) CYP2D6CYP3A4USP2CYP2C19CYP1A2
SCHEMBL10819405 0.78 CHKA (0.57) CYP2D6CYP3A4USP2CYP2C19CYP1A2
SCHEMBL31010361 0.78 ALDH1A1 (0.70) CYP2D6CYP3A4USP2CYP2C19CYP1A2
SCHEMBL5539086 0.77 MGLL (0.48) TSHRALDH1A1
SCHEMBL6407334 0.77 CYP2D6 (0.54) CYP2D6CYP3A4USP2CYP2C19CYP1A2
SCHEMBL5540527 0.77 TACR1 (0.47) CYP2D6USP2CYP2C19CYP1A2TSHR
SCHEMBL8973991 0.76 USP2 (0.56) CYP2D6CYP3A4USP2CYP2C19CYP1A2

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 CYP2D6 728/4885CYP3A4 1683/4885USP2 3074/4885

“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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