SCHEMBL5543151

SCHEMBL5543151

CN(Cc1ccccc1)C1CCN(c2cc[c]cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.48
CYP2D6 P10635 1/20 0.47
CHRM1 P11229 1/20 0.47
HRH1 P35367 1/20 0.47
GRIN2B Q13224 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
RORC P51449 4/20 0.46
AGTR2 P50052 2/20 0.46
NAAA Q02083 1/20 0.43
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
OPRM1 P35372 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
SLC18A3 Q16572 1/20 0.41

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
SCHEMBL7310386 0.84 MCHR1 (0.50) MCHR1CYP2D6CHRM1HRH1GRIN2B
SCHEMBL467367 0.84 MCHR1 (0.47) MCHR1CYP2D6CHRM1HRH1GRIN2B
Hydrochloric Acid SCHEMBL7339715 0.83 MCHR1 (0.47) MCHR1CYP2D6CHRM1HRH1GRIN2B
SCHEMBL3956758 0.81 MCHR1 (0.61) MCHR1RORCAGTR2OPRM1SIGMAR1
SCHEMBL5544933 0.80 MCHR1 (0.41) MCHR1KDM4EALDH1A1NOS3NOS1
SCHEMBL803457 0.80 CYP2D6 (0.50) MCHR1CYP2D6CHRM1HRH1GRIN2B
SCHEMBL8442356 0.79 KDM4E (0.68) GRIN2BKDM4EALDH1A1AGTR2NOS3
SCHEMBL22878155 0.79 GRIN2B (0.52) CYP2D6CHRM1HRH1GRIN2BKDM4E
SCHEMBL14741843 0.78 HRH3 (0.55) GRIN2BKDM4EALDH1A1NAAAHRH4
SCHEMBL3375289 0.78 GRIN2B (0.61) GRIN2BKDM4EALDH1A1NAAAHRH4

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 6 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
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 MCHR1 2179/4885CYP2D6 728/4885CHRM1 463/4885

“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.