SCHEMBL4041818

SCHEMBL4041818

CCCCNC(=O)[C@H](C[C@H](O)[C@H](Cc1cccc(OCc2ccccc2)c1)N[C@@H](Cc1cccc(OCc2ccccc2)c1)[C@@H](O)C[C@@H](C)C(=O)NCCCC)C(N)=O

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
REN P00797 16/20 0.60
CTSD P07339 2/20 0.44
BACE1 P56817 2/20 0.44
BACE2 Q9Y5Z0 2/20 0.44
MME P08473 1/20 0.42
ACE P12821 1/20 0.42
CPA1 P15085 1/20 0.42
ACE2 Q9BYF1 1/20 0.42

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
SCHEMBL4340273 0.84 REN (0.82) REN
SCHEMBL4044535 0.82 REN (0.60) RENCTSDBACE1BACE2
SCHEMBL4044533 0.82 REN (0.60) RENCTSDBACE1BACE2
SCHEMBL4037775 0.79 REN (0.49) RENMMEACECPA1ACE2
SCHEMBL4622134 0.79 REN (0.55) RENBACE1
SCHEMBL4622135 0.79 REN (0.55) RENBACE1
Trifluoroacetic Acid SCHEMBL4622770 0.73 REN (0.53) RENCTSDBACE1BACE2
Trifluoroacetic Acid SCHEMBL4906338 0.73 REN (0.53) RENCTSDBACE1BACE2
Trifluoroacetic Acid SCHEMBL4620735 0.72 REN (0.52) RENCTSDBACE1BACE2
Trifluoroacetic Acid SCHEMBL4620732 0.72 REN (0.52) RENCTSDBACE1BACE2

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 REN 717/4885CTSD 1669/4885BACE1 2/4885

“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.