SCHEMBL15413848

SCHEMBL15413848

COc1ccc2c(c1)NC(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)CC2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.41
ACHE P22303 5/20 0.40
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
XIAP P98170 1/20 0.38
MTNR1A P48039 2/20 0.37
MTNR1B P49286 2/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
NQO2 P16083 1/20 0.36
PYGL P06737 2/20 0.35
PYGM P11217 2/20 0.35
CASP1 P29466 1/20 0.35
CCKBR P32239 1/20 0.35
MC4R P32245 1/20 0.34
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL15414477 0.88 AAK1 (0.39) RIPK1XIAPPYGLPYGM
SCHEMBL15414475 0.88 AAK1 (0.39) RIPK1XIAPPYGLPYGM
SCHEMBL15414798 0.87 XIAP (0.47) XIAP
SCHEMBL15413789 0.87 XIAP (0.47) XIAP
SCHEMBL15414534 0.86 XIAP (0.49) RIPK1XIAP
SCHEMBL15414007 0.86 PYGL (0.46) RIPK1PYGLPYGM
SCHEMBL15413893 0.86 PYGL (0.46) RIPK1PYGLPYGM
SCHEMBL15413892 0.86 PYGL (0.46) RIPK1PYGLPYGM
SCHEMBL15415583 0.86 SCN9A (0.38) RIPK1XIAPPYGLPYGM
SCHEMBL15415518 0.85 XIAP (0.49) RIPK1XIAP

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 RIPK1 4557/4885ACHE 3713/4885CA1 4682/4885

“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.