SCHEMBL6167215

SCHEMBL6167215

COC(=O)c1cccc(-c2ccnn2CCOC2CCCCO2)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 3/20 0.44
PDE7A Q13946 2/20 0.44
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
PDE4B Q07343 1/20 0.38
P2RX3 P56373 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KDM4C Q9H3R0 1/20 0.37
MET P08581 2/20 0.37
RIPK3 Q9Y572 1/20 0.36
DGAT2 Q96PD7 1/20 0.36

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
SCHEMBL6167571 0.90 MEN1 (0.49) PDE4DPDE7AMEN1KMT2APDE4B
SCHEMBL6610013 0.88 MEN1 (0.41) PDE4DPDE7AMEN1KMT2AP2RX3
SCHEMBL6163608 0.87 USP30 (0.37) MEN1KMT2AP2RX3KDM4CMET
SCHEMBL20565389 0.81 MEN1 (0.43) MEN1KMT2AL3MBTL1P2RX3KDM4C
SCHEMBL6165227 0.80 PDE4D (0.47) PDE4DPDE7AL3MBTL1CHRM2CHRM4
SCHEMBL6166434 0.78 PDE7A (0.44) PDE4DPDE7AMEN1KMT2AL3MBTL1
SCHEMBL29001335 0.78 KMT2A (0.39) MEN1KMT2AP2RX3ALDH1A1KDM4C
SCHEMBL5564507 0.77 PDE7A (0.41) PDE4DPDE7AMEN1KMT2AL3MBTL1
SCHEMBL6167357 0.76 PDE7A (0.47) PDE4DPDE7AMEN1KMT2AL3MBTL1
SCHEMBL2499084 0.76 KMT2A (0.53) MEN1KMT2AL3MBTL1ALDH1A1KDM4C

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 PDE4D 611/4885PDE7A 1472/4885MEN1 1887/4885

“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.