SCHEMBL4565038

SCHEMBL4565038

N[C@H]1CN(C(=O)OCC(F)(F)F)c2ccccc2N(CC(F)(F)F)C1=O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 10/20 0.35
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
KCNH2 Q12809 3/20 0.33
XIAP P98170 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
AADAT Q8N5Z0 1/20 0.33
FABP7 O15540 1/20 0.33
GAA P10253 1/20 0.32
FAAH O00519 1/20 0.32
MGLL Q99685 1/20 0.32

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
Hydrochloric Acid SCHEMBL4992340 0.99 SCN9A (0.34) SCN9AGABRA1GABRG2GABRB3GABRA5
Hydrochloric Acid SCHEMBL4565037 0.99 SCN9A (0.34) SCN9AGABRA1GABRG2GABRB3GABRA5
SCHEMBL8213620 0.92 SCN9A (0.37) SCN9AKCNH2XIAPSCN10AAADAT
SCHEMBL4434484 0.88 SCN9A (0.38) SCN9AKCNH2SCN10A
Hydrochloric Acid SCHEMBL4434476 0.87 SCN9A (0.38) SCN9AKCNH2SCN10A
Hydrochloric Acid SCHEMBL4434487 0.87 SCN9A (0.38) SCN9AKCNH2SCN10A
SCHEMBL4992925 0.85 NR1H2 (0.32) FAAHMGLL
SCHEMBL8209097 0.85 NR1H2 (0.32) FAAHMGLL
Hydrochloric Acid SCHEMBL4992927 0.84 NR1H2 (0.32) FAAHMGLL
Hydrochloric Acid SCHEMBL4992919 0.84 NR1H2 (0.32) FAAHMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 1371/4885GABRA1 47/4885GABRG2 82/4885

“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.