SCHEMBL2828076

SCHEMBL2828076

CCOC(=O)CN1CCN(CC)C(=O)C1=O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
GSK3A P49840 2/20 0.47
GSK3B P49841 2/20 0.47
PIN1 Q13526 1/20 0.46
PIN4 Q9Y237 1/20 0.46
ELANE P08246 1/20 0.45
ALOX15 P16050 1/20 0.45
POLB P06746 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 1/20 0.41
AOC3 Q16853 2/20 0.40
MAPK1 P28482 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL23200712 0.82 GSK3A (0.41) GSK3AGSK3BPIN1PIN4ELANE
SCHEMBL20571667 0.79 GAA (0.47) GAAL3MBTL1POLBALDH1A1KMT2A
SCHEMBL20350201 0.79 GAA (0.42) GAAL3MBTL1POLBALDH1A1KMT2A
SCHEMBL3492650 0.77 GAA (0.54) GAAL3MBTL1POLBALDH1A1KMT2A
SCHEMBL23200926 0.77 TSHR (0.46) GSK3AGSK3BPIN1PIN4ELANE
SCHEMBL9708708 0.76 GSK3A (0.49) GAAGSK3AGSK3BPIN1PIN4
SCHEMBL12566554 0.76 GAA (0.48) GAAL3MBTL1ELANEALOX15POLB
SCHEMBL668453 0.74 TSHR (0.56) GSK3AGSK3BPIN1PIN4ELANE
SCHEMBL16424936 0.74 TSHR (0.49) GSK3AGSK3BPIN1PIN4ELANE
SCHEMBL11029198 0.73 GSK3B (0.41) GSK3AGSK3BPIN1PIN4ELANE

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-1937688-B1 IMIDAZO BENZODIAZEPINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-08-11 EP disclosed
US-7507729-B2 for the treatment of cognitive disorders, anxiety, schizophrenia, and Alzheimer's disease; ligands; GABA A alpha 5 receptor inhibitors; 3-bromo-10-chloro-6-(2-oxo-pyrrolidin-1-ylmethyl)-9H-imidazo[1,5-a][1,2,4]triazolo[1,5-d][1,4]benzodiazepine HOFFMANN-LA ROCHE INC. (US) 2009-03-24 US disclosed
EP-1937688-A1 IMIDAZO BENZODIAZEPINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-07-02 EP disclosed
WO-2007042421-A1 IMIDAZO BENZODIAZEPINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-04-19 WO disclosed
US-20070082890-A1 Substituted imidazo-[1,5-a][1,2,4]triazolo[1,5-d][1,4] benzodiazepine derivatives BANK OF AMERICA, N.A., AS ADMINISTRATIVE AGENT 2007-04-12 US 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-20070082890-A1 Substituted imidazo-[1,5-a][1,2,4]triazolo[1,5-d][1,4] benzodiazepine derivatives GABRA5, GABRA1, GABRA4 GAA 1252/4885L3MBTL1 2443/4885GSK3A 1042/4885

“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.