SCHEMBL6162997

SCHEMBL6162997

COC(=O)c1cccc(-c2coc(C)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.54
ENPP3 O14638 3/20 0.51
GABRG2 P18507 1/20 0.50
GABRB3 P28472 1/20 0.50
GABRA5 P31644 1/20 0.50
GABRA3 P34903 1/20 0.50
CDK8 P49336 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 1/20 0.48
SDHB P21912 1/20 0.47
SCN9A Q15858 1/20 0.47
CA12 O43570 2/20 0.47
CA9 Q16790 2/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
PLAU P00749 2/20 0.46
ERN1 O75460 1/20 0.46
ENPP1 P22413 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL6163245 0.84 ENPP3 (0.55) MAPTENPP3NPC1RAB9ASCN9A
SCHEMBL17440163 0.84 NPC1 (0.58) MAPTENPP3NPC1RAB9AENPP1
SCHEMBL7220780 0.81 ENPP3 (0.49) MAPTENPP3NPC1SCN9AENPP1
SCHEMBL1505253 0.80 PLAU (0.45) MAPTENPP3GABRG2GABRB3GABRA5
SCHEMBL29215373 0.79 PLAU (0.49) MAPTGABRG2GABRB3GABRA5GABRA3
SCHEMBL29016795 0.79 NPC1 (0.51) ENPP3GABRG2GABRB3GABRA5GABRA3
SCHEMBL27137907 0.79 NPC1 (0.50) GABRG2GABRB3GABRA5GABRA3CDK8
SCHEMBL4869387 0.78 PLAU (0.51) MAPTENPP3GABRG2GABRB3GABRA5
SCHEMBL13680584 0.78 GABRG2 (0.53) GABRG2GABRB3GABRA5GABRA3CDK8
SCHEMBL67941 0.78 CA12 (0.68) GABRG2GABRB3GABRA5GABRA3CDK8

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 1155/4885ENPP3 4485/4885GABRG2 166/4885

“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.