SCHEMBL5543466

SCHEMBL5543466

CN1CCN(c2ccccc2N[C]=O)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.51
POLB P06746 1/20 0.51
ADRA2C P18825 1/20 0.50
CASP3 P42574 1/20 0.48
CASP7 P55210 1/20 0.48
HSD17B10 Q99714 2/20 0.48
NPBWR1 P48145 1/20 0.48
MCHR1 Q99705 1/20 0.48
MAPK10 P53779 1/20 0.48
DRD2 P14416 2/20 0.47
DRD3 P35462 2/20 0.47
KMT2A Q03164 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MEN1 O00255 1/20 0.46
EGFR P00533 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
GAA P10253 2/20 0.45
TSHR P16473 1/20 0.44
HTT P42858 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
SCHEMBL5543180 0.80 ADRB1 (0.51) HSD17B10DRD2DRD3LMNAMAPT
SCHEMBL5542939 0.80 ALDH1A1 (0.52) POLBCASP3CASP7MAPK10KMT2A
SCHEMBL27506463 0.79 ADRA2C (0.56) MAPK1POLBADRA2CCASP3CASP7
SCHEMBL14624200 0.77 ADRA2C (0.59) MAPK1POLBADRA2CCASP3CASP7
SCHEMBL5543471 0.77 MAPK1 (0.51) MAPK1POLBADRA2CCASP3CASP7
SCHEMBL5538799 0.76 HTR2A (0.38) MAPK1ADRA2CDRD2DRD3KMT2A
Hydrochloric Acid SCHEMBL3474045 0.76 ADRA2C (0.58) MAPK1POLBADRA2CCASP3CASP7
SCHEMBL13159555 0.75 MAPK1 (0.64) MAPK1POLBADRA2CCASP3CASP7
SCHEMBL14355835 0.75 TSHR (0.52) MAPK1POLBADRA2CCASP7HSD17B10
SCHEMBL13159556 0.75 ADRA2C (0.51) MAPK1POLBADRA2CHSD17B10NPBWR1

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 MAPK1 1392/4885POLB 1637/4885ADRA2C 478/4885

“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.