SCHEMBL4563018

SCHEMBL4563018

C[C@](O)(C(=O)NCC(F)(F)C(F)(F)F)C(=O)N[C@H]1CN(CC(F)(F)F)c2ccccc2NC1=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.46
PSEN2 P49810 3/20 0.46
APH1B Q8WW43 3/20 0.46
NCSTN Q92542 3/20 0.46
APH1A Q96BI3 3/20 0.46
PSENEN Q9NZ42 3/20 0.46
SCN9A Q15858 7/20 0.36
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
CALCRL Q16602 2/20 0.30
SCN10A Q9Y5Y9 1/20 0.30
RIPK1 Q13546 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30

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
SCHEMBL4563019 1.00 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8212175 1.00 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5015556 1.00 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14093727 0.92 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4562843 0.91 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5013986 0.91 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8207481 0.91 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4562842 0.91 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4249039 0.90 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14093696 0.90 PSEN1 (0.43) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7414049-B2 4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]diazepine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-08-19 US claimed
US-20080103133-A1 4-OXO-2,3,4,5-TETRAHYDRO-BENZO[b][1,4]DIAZEPINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-05-01 US claimed
EP-2069317-A2 4-OXO-2,3,4,5-TETRAHYDRO-BENZO[B][1,4]DIAZEPINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-06-17 EP disclosed
US-7414049-B2 4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]diazepine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-08-19 US disclosed
US-20080103133-A1 4-OXO-2,3,4,5-TETRAHYDRO-BENZO[b][1,4]DIAZEPINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-05-01 US disclosed
WO-2008034735-A2 4-OXO-2,3,4,5-TETRAHYDRO-BENZO[B][1,4]DIAZEPINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-03-27 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-20080103133-A1 4-OXO-2,3,4,5-TETRAHYDRO-BENZO[b][1,4]DIAZEPINE DERIVATIVES BACE1, BACE2, PSEN1 PSEN1 3/4885PSEN2 4/4885APH1B 6/4885

“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.