SCHEMBL5542857

SCHEMBL5542857

OC1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.64
TSHR P16473 1/20 0.64
ACHE P22303 5/20 0.61
BCHE P06276 4/20 0.61
BACE1 P56817 4/20 0.61
RAB9A P51151 2/20 0.59
MEN1 O00255 1/20 0.59
CYP2D6 P10635 1/20 0.59
KMT2A Q03164 1/20 0.59
NPC1 O15118 1/20 0.58
TEAD1 P28347 2/20 0.57
HRH3 Q9Y5N1 2/20 0.54
LMNA P02545 1/20 0.52
LSS P48449 1/20 0.50
CHRM2 P08172 1/20 0.50
CHRM1 P11229 1/20 0.50
CHRM4 P08173 1/20 0.49
JAK2 O60674 1/20 0.49
JAK1 P23458 1/20 0.49
TYK2 P29597 1/20 0.49

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
SCHEMBL5010484 0.92 ALDH1A1 (0.56) ALDH1A1TSHRACHEBCHEBACE1
SCHEMBL2856132 0.85 ALDH1A1 (0.64) ALDH1A1TSHRACHEBCHEBACE1
SCHEMBL15591085 0.85 ALDH1A1 (0.68) ALDH1A1TSHRACHEBCHEBACE1
SCHEMBL14699678 0.82 ALDH1A1 (0.65) ALDH1A1TSHRACHEBCHEBACE1
SCHEMBL13478353 0.82 ALDH1A1 (0.61) ALDH1A1TSHRACHEBCHEBACE1
SCHEMBL17033950 0.82 TSHR (0.69) ALDH1A1TSHRACHEBCHEBACE1
SCHEMBL24780094 0.81 BCHE (0.67) ALDH1A1TSHRACHEBCHEBACE1
SCHEMBL24478089 0.81 ALDH1A1 (0.71) ALDH1A1TSHRACHEBCHEBACE1
Trifluoroacetic Acid SCHEMBL1920777 0.80 BCHE (0.56) ALDH1A1TSHRACHEBCHEBACE1
SCHEMBL1035980 0.80 ALDH1A1 (0.65) ALDH1A1ACHEBCHEBACE1RAB9A

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 11 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
WO-2009151152-A1 OXYCARBAMOYL COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2009-12-17 WO 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 ALDH1A1 355/4885TSHR 319/4885ACHE 4670/4885

“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.