SCHEMBL6166564

SCHEMBL6166564

CC(C)(C)OC(=O)CC(=O)c1cccc(-c2nnc(CCOC3CCCCO3)s2)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HRH3 Q9Y5N1 3/20 0.35
PDE4D Q08499 2/20 0.35
PDE7A Q13946 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
USP30 Q70CQ3 1/20 0.35
GLS O94925 3/20 0.34
POLB P06746 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ICAM1 P05362 1/20 0.33
SELE P16581 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
SCHEMBL6168187 0.92 HRH3 (0.36) MEN1KMT2AHRH3PDE4DPDE7A
SCHEMBL6167357 0.87 PDE7A (0.47) KDM4CMEN1KMT2AHRH3PDE4D
SCHEMBL6165685 0.82 RAB9A (0.40) KDM4CMEN1KMT2ANPC1RAB9A
SCHEMBL6165780 0.80 CPT2 (0.39) RAB9AUSP30KDM4EALDH1A1
SCHEMBL6165033 0.79 ADORA3 (0.36) KDM4CPDE4DPDE7AUSP30ADORA3
SCHEMBL6166605 0.78 CPT2 (0.40) KDM4CMEN1KMT2AUSP30ALDH1A1
SCHEMBL6165616 0.78 PDE7A (0.48) HRH3PDE4DPDE7ANPC1RAB9A
SCHEMBL6163608 0.78 USP30 (0.37) KDM4CMEN1KMT2AUSP30
SCHEMBL6166741 0.78 MLLT1 (0.39) MEN1KMT2ANPC1RAB9AUSP30
SCHEMBL6167360 0.78 NPC1 (0.39) MEN1KMT2ANPC1RAB9AUSP30

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 KDM4C 1086/4885MEN1 1887/4885KMT2A 1244/4885

“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.