SCHEMBL6164489

SCHEMBL6164489

COCc1cnn(C)c1-c1cccc(C(=O)OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 3/20 0.45
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
TGFBR1 P36897 1/20 0.44
CDK8 P49336 1/20 0.44
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
DHODH Q02127 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
ERN1 O75460 2/20 0.41
NEK1 Q96PY6 1/20 0.41
AXL P30530 1/20 0.41
PDE4D Q08499 1/20 0.41
PDE7A Q13946 1/20 0.41
GRM5 P41594 1/20 0.40

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
SCHEMBL6165752 0.89 DGAT2 (0.46) DGAT2GABRG2GABRB3GABRA5GABRA3
SCHEMBL6166434 0.82 PDE7A (0.44) DGAT2TGFBR1PDE4DPDE7A
SCHEMBL24526643 0.82 HTR2A (0.36) CA12CA1CA2CA9GRM5
SCHEMBL29759272 0.82 HTR2A (0.36) CA12CA1CA2CA9GRM5
SCHEMBL28840292 0.77 PDE4D (0.49) DGAT2GABRG2GABRB3GABRA5GABRA3
SCHEMBL29759212 0.73 HCAR1 (0.38) AXL
SCHEMBL24526557 0.73 HCAR1 (0.38) AXL
SCHEMBL23166398 0.72 CDK8 (0.54) GABRG2GABRB3GABRA5GABRA3TGFBR1
SCHEMBL67941 0.72 CA12 (0.68) GABRG2GABRB3GABRA5GABRA3CDK8
SCHEMBL24526702 0.72 HTR2A (0.38) DGAT2CA12CA1CA2CA9

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 DGAT2 2523/4885GABRG2 166/4885GABRB3 21/4885

“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.