SCHEMBL15414543

SCHEMBL15414543

C[C@@H](C(=O)N[C@H]1CCc2ccc(OCCCc3ccccc3)cc2N(Cc2ccccc2)C1=O)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
XIAP P98170 15/20 0.72
NPY1R P25929 1/20 0.46
SCN9A Q15858 3/20 0.44

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
SCHEMBL15414759 0.96 XIAP (0.72) XIAPNPY1RSCN9A
SCHEMBL15415244 0.92 XIAP (0.71) XIAPNPY1RSCN9A
SCHEMBL15414668 0.87 XIAP (0.69) XIAPNPY1RSCN9A
SCHEMBL19835193 0.87 XIAP (0.69) XIAPNPY1RSCN9A
SCHEMBL19847689 0.84 XIAP (1.00) XIAP
SCHEMBL19835162 0.84 XIAP (1.00) XIAP
SCHEMBL19835161 0.84 XIAP (1.00) XIAP
SCHEMBL15427578 0.84 XIAP (1.00) XIAP
SCHEMBL15415518 0.84 XIAP (0.49) XIAPSCN9A
Hydrochloric Acid SCHEMBL15414531 0.83 XIAP (0.98) XIAP

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 XIAP 762/4885NPY1R 295/4885SCN9A 4783/4885

“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.