SCHEMBL6164626

SCHEMBL6164626

CN(C)c1cc(NC(=O)OC(C)(C)C)c(NC(=O)CC(=O)c2cccc(-n3ccnn3)c2)cc1C#Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.32
KMT2A Q03164 1/20 0.32
NOTUM Q6P988 2/20 0.31
PTPN1 P18031 1/20 0.31
PTPRB P23467 1/20 0.31
PTPN6 P29350 1/20 0.31
PTPN11 Q06124 1/20 0.31
ACACB O00763 1/20 0.31
BRD4 O60885 1/20 0.31
GRIN2B Q13224 1/20 0.30
CNR2 P34972 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
VCP P55072 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL6166386 0.85 NOTUM (0.38) KMT2ANOTUMBRD4L3MBTL1
SCHEMBL6164712 0.84 L3MBTL1 (0.38) NOTUML3MBTL1
SCHEMBL6164750 0.84 PTGES (0.38) PTGESKMT2APTPN1PTPRBPTPN6
SCHEMBL6163924 0.83 KEAP1 (0.32) KMT2ANOTUML3MBTL1
SCHEMBL7148120 0.83 KCNQ4 (0.34) NOTUMBRD4TSHR
SCHEMBL5868947 0.82 KCNQ4 (0.40) KMT2ANOTUMTSHR
SCHEMBL6167089 0.81 KEAP1 (0.32) KMT2ANOTUML3MBTL1
SCHEMBL6163113 0.79 NOTUM (0.35) KMT2ANOTUML3MBTL1
SCHEMBL6166976 0.79 NOTUM (0.34) KMT2ANOTUML3MBTL1TSHR
SCHEMBL6164277 0.79 L3MBTL1 (0.36) KMT2ANOTUML3MBTL1

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 PTGES 1428/4885KMT2A 1244/4885NOTUM 3530/4885

“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.