SCHEMBL5538487

SCHEMBL5538487

C[C@]1(CN2CCN(c3ccc(OC(F)(F)F)cc3)CC2)CO1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
KCNA5 P22460 1/20 0.44
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
DRD2 P14416 1/20 0.40
CHRM4 P08173 5/20 0.39
MAP4K1 Q92918 1/20 0.39
ADORA2A P29274 1/20 0.38
KDM2B Q8NHM5 1/20 0.38
PTGS1 P23219 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL5538491 1.00 KCNH2 (0.44) KCNH2ALDH1A1TSHRKCNA5PPARD
SCHEMBL5534890 0.82 AKR1C3 (0.45) PPARDPPARADRD2SLC6A2SLC6A4
SCHEMBL19538665 0.79 TSHR (0.68) ALDH1A1TSHRKCNA5PPARDPPARA
SCHEMBL4891105 0.79 CHRM4 (0.45) KCNH2ALDH1A1TSHRKCNA5PPARD
SCHEMBL5545918 0.77 DRD4 (0.50) ALDH1A1DRD2MEN1KMT2A
SCHEMBL3035715 0.77 KCNH2 (0.46) KCNH2ALDH1A1TSHRKCNA5PTGS1
SCHEMBL3035713 0.77 KCNH2 (0.46) KCNH2ALDH1A1TSHRKCNA5PTGS1
SCHEMBL3035712 0.77 KCNH2 (0.46) KCNH2ALDH1A1TSHRKCNA5PTGS1
SCHEMBL5534678 0.76 KMT2A (0.52) ALDH1A1TSHRKCNA5PPARDPPARA
SCHEMBL5545975 0.75 CHRNA7 (0.46) KCNH2ALDH1A1TSHRDRD2HSD17B10

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 KCNH2 3503/4885ALDH1A1 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.