SCHEMBL5543009

SCHEMBL5543009

CC(O)(CN1CCC(c2ccc(C(F)(F)F)cc2)CC1)Cn1cc([N+](=O)[O-])nc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
PIK3CA P42336 5/20 0.36
PRKAA2 P54646 5/20 0.36
MCHR1 Q99705 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
P2RY14 Q15391 2/20 0.35
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAG3 Q9UGI9 1/20 0.35
PRKAG2 Q9UGJ0 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35
CYP3A4 P08684 1/20 0.35
ENPP2 Q13822 1/20 0.34
PRCP P42785 1/20 0.34

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
SCHEMBL5542997 1.00 GRM2 (0.39) GRM2DRD2DRD4PIK3CAPRKAA2
SCHEMBL5537472 0.89 PRCP (0.37) DRD2DRD4PRCP
SCHEMBL5537478 0.89 PRCP (0.37) DRD2DRD4PRCP
SCHEMBL5543252 0.87 ADRB2 (0.41) PRKAA2MCHR1
SCHEMBL5540878 0.87 ADRB2 (0.41) PRKAA2MCHR1
SCHEMBL5536402 0.85 CARM1 (0.45) DRD4CHRM1
SCHEMBL5536393 0.85 CARM1 (0.45) DRD4CHRM1
SCHEMBL5542825 0.85 ENPP2 (0.41) GRM2DRD2DRD4ENPP2
SCHEMBL5543775 0.84 CARM1 (0.36) DRD4PIK3CAPRKAA2CHRM1PRKAB2
SCHEMBL5543781 0.84 CARM1 (0.36) DRD4PIK3CAPRKAA2CHRM1PRKAB2

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 GRM2 248/4885DRD2 542/4885DRD4 368/4885

“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.