SCHEMBL5000352

SCHEMBL5000352

CC(O)(C(=O)NCC(F)(F)C(F)(F)F)C(=O)NC1CN(CC(F)(F)F)c2ccccc2N(CCOCc2ccccc2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 14/20 0.42
SCN10A Q9Y5Y9 1/20 0.37
XIAP P98170 3/20 0.35
CYP3A4 P08684 2/20 0.35
PSEN1 P49768 2/20 0.33
PSEN2 P49810 2/20 0.33
APH1B Q8WW43 2/20 0.33
NCSTN Q92542 2/20 0.33
APH1A Q96BI3 2/20 0.33
PSENEN Q9NZ42 2/20 0.33
MME P08473 1/20 0.33
ACE P12821 1/20 0.33

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
SCHEMBL4563207 0.94 SCN9A (0.46) SCN9ASCN10AXIAPCYP3A4PSEN1
SCHEMBL4396382 0.94 SCN9A (0.46) SCN9ASCN10AXIAPCYP3A4PSEN1
SCHEMBL14093709 0.94 SCN9A (0.46) SCN9ASCN10AXIAPCYP3A4PSEN1
SCHEMBL4396386 0.94 SCN9A (0.46) SCN9ASCN10AXIAPCYP3A4PSEN1
SCHEMBL4563152 0.87 SCN9A (0.41) SCN9ASCN10AXIAPCYP3A4PSEN1
SCHEMBL8207603 0.87 SCN9A (0.41) SCN9ASCN10AXIAPCYP3A4PSEN1
SCHEMBL4563154 0.87 SCN9A (0.41) SCN9ASCN10AXIAPCYP3A4PSEN1
SCHEMBL8207421 0.87 XIAP (0.38) SCN9ASCN10AXIAPCYP3A4PSEN1
SCHEMBL8200025 0.87 XIAP (0.40) SCN9AXIAPCYP3A4PSEN1PSEN2
SCHEMBL5014049 0.82 SCN9A (0.43) SCN9ASCN10AXIAPCYP3A4PSEN1

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
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-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-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
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
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 SCN9A 1371/4885SCN10A 1842/4885XIAP 3203/4885

“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.