SCHEMBL15414303

SCHEMBL15414303

CCC(NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2ccccc2NC1=O

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 17/20 0.54
▸ IDO1 P14902 1/20 0.49
▸ CCKAR P32238 1/20 0.48
▸ CCKBR P32239 1/20 0.48
▸ CACNA1C Q13936 2/20 0.47
▸ PYGL P06737 1/20 0.46
▸ PYGM P11217 1/20 0.46

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
SCHEMBL15414301 1.00 SCN9A (0.54) SCN9AIDO1CCKARCCKBRCACNA1C
SCHEMBL15414247 0.92 SCN9A (0.54) SCN9AIDO1CCKARCCKBRCACNA1C
SCHEMBL9025396 0.91 SCN9A (0.53) SCN9AIDO1CCKARCCKBRCACNA1C
SCHEMBL9025761 0.90 SCN9A (0.68) SCN9ACCKARCCKBR
SCHEMBL29481025 0.87 PYGL (0.50) SCN9AIDO1CACNA1CPYGLPYGM
SCHEMBL9023683 0.87 ACE (0.52) SCN9AIDO1CCKARCCKBRCACNA1C
SCHEMBL15414268 0.85 SCN9A (0.47) SCN9AIDO1PYGLPYGM
SCHEMBL15414265 0.85 SCN9A (0.47) SCN9AIDO1PYGLPYGM
SCHEMBL1269800 0.85 SCN9A (0.69) SCN9ACACNA1C
SCHEMBL4459388 0.85 SCN9A (0.69) SCN9ACACNA1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2872490-B1 ANTIPROLIFERATIVE BENZO[B]AZEPIN-2-ONES HOFFMANN LA ROCHE (CH) 2018-02-07 — — EP disclosed
US-9611224-B2 Antiproliferative benzo [B] azepin-2-ones HOFFMANN-LA ROCHE INC. (US) 2017-04-04 — — US disclosed
US-20150353499-A1 ANTIPROLIFERATIVE BENZO [B] AZEPIN-2-ONES HOFFMAN-LA ROCHE INC. (US) 2015-12-10 — — US disclosed
EP-2872490-A1 ANTIPROLIFERATIVE BENZO [B]AZEPIN- 2 - ONES F. Hoffmann-La Roche AG (CH) 2015-05-20 — — EP disclosed
WO-2014009495-A1 ANTIPROLIFERATIVE BENZO [B] AZEPIN- 2 - ONES F. HOFFMANN-LA ROCHE AG (CH) 2014-01-16 — — 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-20150353499-A1 ANTIPROLIFERATIVE BENZO [B] AZEPIN-2-ONES CCNY, RB1, TOP2B SCN9A 4783/4885IDO1 2508/4885CCKAR 959/4885

“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.

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