SCHEMBL4040508

SCHEMBL4040508

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CC#N

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 12/20 0.62
CTSK P43235 10/20 0.62
CTSB P07858 3/20 0.62
CTSL P07711 1/20 0.62
KLK5 Q9Y337 3/20 0.61
ATM Q13315 1/20 0.52
PSEN1 P49768 3/20 0.52
PSEN2 P49810 3/20 0.52
APH1B Q8WW43 3/20 0.52
NCSTN Q92542 3/20 0.52
APH1A Q96BI3 3/20 0.52
PSENEN Q9NZ42 3/20 0.52
APP P05067 1/20 0.51

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
SCHEMBL4040240 1.00 CTSS (0.62) CTSSCTSKCTSBCTSLKLK5
SCHEMBL1601944 0.89 CTSS (0.55) CTSSCTSKCTSBCTSLKLK5
SCHEMBL7392856 0.86 KLK5 (0.67) CTSSCTSKCTSBCTSLKLK5
SCHEMBL7297673 0.85 CTSS (0.61) CTSSCTSKCTSBCTSLKLK5
SCHEMBL9516143 0.85 CTSS (0.61) CTSSCTSKCTSBCTSLKLK5
SCHEMBL15776419 0.85 CTSS (0.61) CTSSCTSKCTSBCTSLKLK5
SCHEMBL6345082 0.85 CTSS (0.61) CTSSCTSKCTSBCTSLKLK5
SCHEMBL7297668 0.85 CTSS (0.61) CTSSCTSKCTSBCTSLKLK5
SCHEMBL12751287 0.85 KLK5 (0.66) CTSSCTSKCTSBCTSLKLK5
SCHEMBL13328536 0.85 KLK5 (0.66) CTSSCTSKCTSBCTSLKLK5

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
US-7612054-B2 Dibenzo[b,f]oxepine-10-carboxamides and pharmaceutical uses thereof NOVARTIS AG (CH) 2009-11-03 US disclosed
EP-1651592-B1 NOVEL DIBENZO[B,F]OXEPINE-10-CARBOXAMIDES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2009-04-29 EP disclosed
US-20070111991-A1 Novel dibenzo [b, f] oxepine-10-carboxamides and pharmaceutical uses thereof NOVARTIS AG (CH) 2007-05-17 US disclosed
EP-1651592-A2 NOVEL DIBENZO[B,F]OXEPINE-10-CARBOXAMIDES AND PHARMACEUTICAL USES THEREOF Novartis AG (CH) 2006-05-03 EP disclosed
WO-2005014517-A2 NOVEL DIBENZO[B,F]OXEPINE-10-CARBOXAMIDES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2005-02-17 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-20070111991-A1 Novel dibenzo [b, f] oxepine-10-carboxamides and pharmaceutical uses thereof APP, BACE1, BCHE CTSS 2096/4885CTSK 2125/4885CTSB 1017/4885

“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.