SCHEMBL15414673

SCHEMBL15414673

CCC(C(=O)NC1CCc2ccccc2NC1=O)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PYGL P06737 5/20 0.44
PYGM P11217 5/20 0.44
RIPK1 Q13546 14/20 0.42
SCN9A Q15858 1/20 0.39

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
SCHEMBL19847647 1.00 PYGL (0.44) PYGLPYGMRIPK1SCN9A
SCHEMBL15414671 1.00 PYGL (0.44) PYGLPYGMRIPK1SCN9A
SCHEMBL15414986 0.90 PYGL (0.43) PYGLPYGMRIPK1SCN9A
SCHEMBL15414985 0.90 PYGL (0.43) PYGLPYGMRIPK1SCN9A
SCHEMBL15413892 0.88 PYGL (0.46) PYGLPYGMRIPK1SCN9A
SCHEMBL15413893 0.88 PYGL (0.46) PYGLPYGMRIPK1SCN9A
SCHEMBL15414007 0.88 PYGL (0.46) PYGLPYGMRIPK1SCN9A
SCHEMBL17310705 0.86 PYGL (0.48) PYGLPYGMRIPK1
SCHEMBL15413922 0.86 PYGL (0.48) PYGLPYGMRIPK1
SCHEMBL15414930 0.85 PYGL (0.44) PYGLPYGMRIPK1SCN9A

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 PYGL 3253/4885PYGM 4426/4885RIPK1 4557/4885

“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.