SCHEMBL5547709

SCHEMBL5547709

COc1ccccc1C1=CCN(C)CC1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
QDPR P09417 1/20 0.54
SLC6A4 P31645 2/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
HTR1A P08908 1/20 0.51
ALOX15 P16050 1/20 0.51
HTR6 P50406 1/20 0.51
HSD17B10 Q99714 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
DRD2 P14416 5/20 0.51
DRD4 P21917 5/20 0.51
TNKS O95271 1/20 0.47
TNKS2 Q9H2K2 1/20 0.47
TGFBR1 P36897 1/20 0.47
ACVR1 Q04771 1/20 0.47

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
SCHEMBL10640825 0.86 TGFBR1 (0.50) QDPRSLC6A4KDM4ELMNAPOLB
SCHEMBL10827443 0.83 PTGS2 (0.45) ALOX15HSD17B10DRD2
SCHEMBL5537519 0.83 DRD2 (0.48) SLC6A4KDM4ELMNAPOLBHTR1A
SCHEMBL5547704 0.83 TNKS (0.46) L3MBTL1TNKSTNKS2
SCHEMBL13801237 0.81 TNKS (0.51) TNKSTNKS2
SCHEMBL5536929 0.80 SLC6A4 (0.61) QDPRSLC6A4DRD2TGFBR1ACVR1
SCHEMBL15236737 0.80 HTR6 (0.51) QDPRSLC6A4KDM4ELMNAPOLB
SCHEMBL14012675 0.79 PARP1 (0.46) SLC6A4KDM4ELMNAPOLBHTR1A
Hydrochloric Acid SCHEMBL7030177 0.79 QDPR (0.56) QDPRSLC6A4KDM4ETGFBR1ACVR1
SCHEMBL7033282 0.79 QDPR (0.56) QDPRSLC6A4KDM4ETGFBR1ACVR1

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
US-20130230459-A1 RADIOLABELLED mGluR2 PET LIGANDS Janssen Pharmaceuticals, Inc. (US) 2013-09-05 US 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 (2 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 QDPR 603/4885SLC6A4 4191/4885KDM4E 4854/4885
US-20130230459-A1 RADIOLABELLED mGluR2 PET LIGANDS GRM2, GRM3, GRM1 QDPR 2833/4885SLC6A4 358/4885KDM4E 2712/4885

“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.