Sugi Predict

Sugi Predict / Compounds / SCHEMBL3941244

SCHEMBL3941244

SCHEMBL3941244

CC(C)CC(O)(C(=O)O)C(=O)N[C@@H]1C(=O)Nc2ccccc2-c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 2/20 0.55
▸ PSEN2 P49810 2/20 0.55
▸ APH1B Q8WW43 2/20 0.55
▸ NCSTN Q92542 2/20 0.55
▸ APH1A Q96BI3 2/20 0.55
▸ PSENEN Q9NZ42 2/20 0.55
▸ IDO1 P14902 3/20 0.37
▸ TDO2 P48775 2/20 0.36
▸ CCKAR P32238 3/20 0.36
▸ CCKBR P32239 3/20 0.36
▸ MAPT P10636 1/20 0.36
▸ GAA P10253 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL4059844 1.00 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4059842 1.00 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4064355 0.90 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4064347 0.90 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4064352 0.90 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3943321 0.86 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4060201 0.86 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4060200 0.86 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13791129 0.85 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13791126 0.85 PSEN1 (0.73) PSEN1PSEN2APH1BNCSTNAPH1A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2109604-A1 6-OXO-6,7-DIHYDRO-5H-DIBENZO[B,D]AZEPIN-7-YL DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-10-21 — — EP disclosed
US-7544679-B2 6-oxo-6,7-dihydro-5h-dibenzo[b,d]azepin-7-yl derivatives HOFFMAN-LA ROCHE INC. (US) 2009-06-09 — — US disclosed
US-7544679-B2 6-oxo-6,7-dihydro-5h-dibenzo[b,d]azepin-7-yl derivatives HOFFMAN-LA ROCHE INC. (US) 2009-06-09 — — US disclosed
US-7544679-B2 6-oxo-6,7-dihydro-5h-dibenzo[b,d]azepin-7-yl derivatives HOFFMAN-LA ROCHE INC. (US) 2009-06-09 — — US disclosed
WO-2008092786-A1 6-OXO-6,7-DIHYDRO-5H-DIBENZO[B,D]AZEPIN-7-YL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-08-07 — — WO disclosed
US-20080188463-A1 6-OXO-6,7-DIHYDRO-5H-DIBENZO[B,D]AZEPIN-7-YL DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-08-07 — — US disclosed
US-20080188463-A1 6-OXO-6,7-DIHYDRO-5H-DIBENZO[B,D]AZEPIN-7-YL DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-08-07 — — US 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-20080188463-A1 6-OXO-6,7-DIHYDRO-5H-DIBENZO[B,D]AZEPIN-7-YL DERIVATIVES BACE1, BACE2, APH1B PSEN1 9/4885PSEN2 13/4885APH1B 3/4885

“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.