SCHEMBL5535158

SCHEMBL5535158

FC(F)(F)Oc1ccc(C=C2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.62
ACHE P22303 4/20 0.62
BACE1 P56817 4/20 0.62
ALDH1A1 P00352 1/20 0.53
TSHR P16473 1/20 0.53
OGA O60502 1/20 0.51
DRD4 P21917 3/20 0.48
DRD2 P14416 2/20 0.48
DRD3 P35462 2/20 0.48
HRH3 Q9Y5N1 1/20 0.47
CHRM2 P08172 2/20 0.46
CHRM1 P11229 1/20 0.46
MCHR1 Q99705 1/20 0.45
CHRM4 P08173 3/20 0.44
SIGMAR1 Q99720 1/20 0.44
TNF P01375 1/20 0.44
NOD2 Q9HC29 1/20 0.44
NOD1 Q9Y239 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
SCHEMBL3168599 0.84 SIGMAR1 (0.66) ACHEBACE1ALDH1A1OGAMCHR1
SCHEMBL5547852 0.84 LMNA (0.61) BCHEACHEBACE1ALDH1A1DRD2
SCHEMBL2257602 0.83 SIGMAR1 (0.59) ACHEBACE1ALDH1A1OGADRD4
SCHEMBL5817187 0.82 ACHE (0.56) BCHEACHEBACE1OGADRD2
SCHEMBL2056135 0.76 ALDH1A1 (0.51) ALDH1A1TSHROGA
SCHEMBL2514685 0.76 HRH3 (0.52) ACHEALDH1A1TSHRDRD2DRD3
SCHEMBL12625981 0.75 ALDH1A1 (0.66) BCHEACHEBACE1ALDH1A1TSHR
SCHEMBL4350265 0.74 GRIN1 (0.72) ALDH1A1
SCHEMBL3149156 0.74 MCHR1 (0.53) HRH3MCHR1SIGMAR1
SCHEMBL6071351 0.74 MCHR1 (0.58) ALDH1A1OGAHRH3MCHR1

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 10 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
CN-101255170-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN disclosed
CN-101172981-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-05-07 CN disclosed
CN-100366624-C 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-02-06 CN 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 BCHE 4833/4885ACHE 4670/4885BACE1 3399/4885

“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.