SCHEMBL5543574

SCHEMBL5543574

Cc1ccc(C2CC[N]CC2)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 6/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
NOTUM Q6P988 1/20 0.38
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
BRCA1 P38398 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTR2C P28335 4/20 0.35
PSMB5 P28074 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL15567031 0.86 CHRNB2 (0.44) GRM7CHRNB2CHRNA4NOTUMNOS3
SCHEMBL1365641 0.85 DRD2 (0.42) GRM7CHRNB2CHRNA4NOS3NOS1
SCHEMBL11295388 0.82 PSMB5 (0.45) GRM7CHRNB2CHRNA4NOTUMNOS3
SCHEMBL1128140 0.80 PSMB5 (0.47) GRM7CHRNB2CHRNA4NOS3NOS1
SCHEMBL1365449 0.78 NOTUM (0.31) NOTUMHTR2CPSMB5
SCHEMBL1366189 0.78 CYP11B2 (0.48) CHRNB2CHRNA4NOS3NOS1NOS2
SCHEMBL5534626 0.77 HTR2C (0.61) CHRNB2CHRNA4HTR2CSLC6A2SLC6A4
SCHEMBL14370206 0.77 ALDH1A1 (0.39) GRM7CHRNB2CHRNA4NOTUMNOS3
SCHEMBL3208274 0.76 HTR2C (0.60) ALDH1A1HTR2CSLC6A2SLC6A4
SCHEMBL14370207 0.76 GRM7 (0.44) GRM7CHRNB2CHRNA4NOTUMPTGDR2

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 GRM7 380/4885CHRNB2 1140/4885CHRNA4 1505/4885

“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.