SCHEMBL5544933

SCHEMBL5544933

CCN(C)C1CCN(c2cc[c]cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.41
NOS3 P29474 4/20 0.35
NOS1 P29475 4/20 0.35
NOS2 P35228 4/20 0.35
LSS P48449 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
CHIT1 Q13231 1/20 0.34
CHIA Q9BZP6 1/20 0.34
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
L3MBTL3 Q96JM7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DPP4 P27487 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CHRNA7 P36544 1/20 0.33

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
SCHEMBL27570748 0.85 MCHR1 (0.50) MCHR1DRD2DRD3L3MBTL3L3MBTL1
SCHEMBL4696324 0.85 ACKR3 (0.35) DRD2DRD4DRD3CHIT1CHIA
Hydrochloric Acid SCHEMBL28750794 0.83 MCHR1 (0.49) MCHR1DRD2DRD3L3MBTL3L3MBTL1
SCHEMBL8723815 0.83 ADRB1 (0.44) MCHR1LSSCHIT1CHIAL3MBTL3
SCHEMBL5545660 0.82 L3MBTL3 (0.43) MCHR1LSSL3MBTL3L3MBTL1
SCHEMBL17057759 0.82 NPY5R (0.45) MCHR1NOS3NOS1NOS2LSS
SCHEMBL8723811 0.82 MCHR1 (0.43) MCHR1LSSDRD2DRD4DRD3
SCHEMBL5543151 0.80 MCHR1 (0.48) MCHR1NOS3NOS1NOS2KDM4E
SCHEMBL188978 0.76 MCHR1 (0.46) MCHR1
SCHEMBL4939132 0.74 HRH3 (0.49) NOS3NOS1NOS2L3MBTL3L3MBTL1

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 7 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
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 MCHR1 2179/4885NOS3 214/4885NOS1 553/4885

“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.