SCHEMBL6164845

SCHEMBL6164845

Cc1cc(N)c(NC(=O)OC(C)(C)C)cc1N1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
NPSR1 Q6W5P4 5/20 0.40
L3MBTL1 Q9Y468 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GAA P10253 5/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
MAPK1 P28482 4/20 0.40
ALDH1A1 P00352 3/20 0.40
ATM Q13315 2/20 0.39
HTT P42858 1/20 0.39
AAK1 Q2M2I8 2/20 0.39
THRB P10828 1/20 0.38
NR4A1 P22736 1/20 0.38
PTK2B Q14289 1/20 0.38
KCNQ2 O43526 1/20 0.38
LMNA P02545 2/20 0.38

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
SCHEMBL25139777 0.93 AAK1 (0.36) MAPTNPSR1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL23606834 0.90 WDR5 (0.41) NPSR1SMN1; SMN2KDM4EGAAMEN1
SCHEMBL30044351 0.90 WDR5 (0.41) NPSR1SMN1; SMN2KDM4EGAAMEN1
SCHEMBL23606829 0.89 NPY2R (0.43) NPSR1L3MBTL1SMN1; SMN2GAAAAK1
SCHEMBL30044954 0.89 NPY2R (0.43) NPSR1L3MBTL1SMN1; SMN2GAAAAK1
SCHEMBL23606832 0.88 NPY2R (0.44) NPSR1L3MBTL1SMN1; SMN2GAAMEN1
SCHEMBL30331527 0.88 NPY2R (0.44) NPSR1L3MBTL1SMN1; SMN2GAAMEN1
SCHEMBL30045127 0.87 RAD52 (0.44) MAPTNPSR1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL23606830 0.87 RAD52 (0.44) MAPTNPSR1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL6166893 0.86 TSHR (0.42) MAPTNPSR1L3MBTL1SMN1; SMN2KDM4E

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-1379511-B1 DIHYDRO-BENZO (b) (1, 4) DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II HOFFMANN LA ROCHE (CH) 2005-07-20 EP disclosed
EP-1379511-A1 DIHYDRO-BENZO (b) (1, 4) DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II F. HOFFMANN-LA ROCHE AG (CH) 2004-01-14 EP disclosed
US-6544985-B2 For therapy of acute and/or chronic neurological disorders such as psychosis, schizophrenia, Alzheimer's disease, cognitive disorders and memory deficits HOFFMAN-LA ROCHE INC. 2003-04-08 US disclosed
US-20020193367-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives F. HOFFMAN-LA ROCHE AG A SWISS COMPANY (CH) 2002-12-19 US disclosed
WO-2002083652-A1 DIHYDRO-BENZO [b] [1, 4] DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II F. HOFFMANN-LA ROCHE AG (CH) 2002-10-24 WO 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-20020193367-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives CYP1B1, GRIN2B, BDKRB1 MAPT 1155/4885NPSR1 359/4885L3MBTL1 2727/4885

“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.