SCHEMBL4044944

SCHEMBL4044944

N[C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CCOc2ccc(Br)cc21

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 13/20 0.42
CTSD P07339 12/20 0.42
F2 P00734 2/20 0.39
BACE2 Q9Y5Z0 2/20 0.39
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
ADRA2A P08913 1/20 0.36
HTR2A P28223 1/20 0.36
ENPP2 Q13822 1/20 0.34
CSNK1E P49674 1/20 0.33

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
SCHEMBL4040686 0.88 BACE1 (0.42) BACE1CTSDF2BACE2ENPP2
SCHEMBL4036778 0.88 BACE1 (0.42) BACE1CTSDF2BACE2DRD2
SCHEMBL924395 0.87 BACE1 (0.49) BACE1CTSDF2BACE2CSNK1E
SCHEMBL924393 0.87 BACE1 (0.49) BACE1CTSDF2BACE2CSNK1E
SCHEMBL4048800 0.86 BACE1 (0.44) BACE1CTSDF2BACE2
SCHEMBL924766 0.82 BACE1 (0.57) BACE1CTSDBACE2
SCHEMBL924767 0.82 BACE1 (0.57) BACE1CTSDBACE2
SCHEMBL12619146 0.80 BACE1 (0.58) BACE1CTSDBACE2
Hydrochloric Acid SCHEMBL3577340 0.77 BACE1 (0.48) BACE1CTSDBACE2
SCHEMBL8276432 0.77 BACE1 (0.56) BACE1CTSD

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 BACE1 2/4885CTSD 1669/4885F2 452/4885

“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.