SCHEMBL4988872

SCHEMBL4988872

CC(C)(C)OC(=O)N[C@H]1CNc2cc(F)c(F)cc2NC1=O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.47
GAA P10253 1/20 0.46
NAAA Q02083 9/20 0.40
SCN9A Q15858 1/20 0.40
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
ASAH1 Q13510 1/20 0.35
HTT P42858 1/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35

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
SCHEMBL4988882 1.00 EPHX2 (0.47) EPHX2GAANAAASCN9ANFKB1
SCHEMBL6177311 0.87 EPHX2 (0.47) EPHX2GAANAAASCN9ANFKB1
SCHEMBL8210416 0.87 EPHX2 (0.47) EPHX2GAANAAASCN9ANFKB1
SCHEMBL15811245 0.83 EPHX2 (0.51) EPHX2GAANAAANFKB1NFKB2
SCHEMBL6176701 0.83 EPHX2 (0.51) EPHX2GAANAAANFKB1NFKB2
SCHEMBL17324359 0.83 EPHX2 (0.46) EPHX2GAANAAASCN9ANFKB1
SCHEMBL20050045 0.83 EPHX2 (0.46) EPHX2GAANAAASCN9ANFKB1
SCHEMBL3485516 0.82 EPHX2 (0.62) EPHX2GAANAAASCN9ANFKB1
SCHEMBL949512 0.82 EPHX2 (0.62) EPHX2GAANAAASCN9ANFKB1
SCHEMBL645858 0.82 EPHX2 (0.62) EPHX2GAANAAASCN9ANFKB1

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 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

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 EPHX2 888/4885GAA 271/4885NAAA 1240/4885

“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.