SCHEMBL4047873

SCHEMBL4047873

C[C@@H](CNC[C@H](O)[C@@H](N)Cc1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.48
CSNK1E P49674 1/20 0.48
AOC3 Q16853 1/20 0.47
F2 P00734 2/20 0.47
TAAR1 Q96RJ0 3/20 0.44
SLC6A2 P23975 2/20 0.43
MAOA P21397 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
CYP2A6 P11509 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
LAP3 P28838 3/20 0.43
ANPEP P15144 1/20 0.43
RNPEP Q9H4A4 1/20 0.43
DNPEP Q9ULA0 1/20 0.43
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL7300383 0.87 CSNK1E (0.54) BCHECSNK1EF2TAAR1SLC6A2
SCHEMBL3348120 0.87 BACE1 (0.44) BCHECSNK1EAOC3F2TAAR1
SCHEMBL1057036 0.86 CSNK1E (0.51) BCHECSNK1EF2TAAR1SLC6A2
SCHEMBL1286638 0.86 CSNK1E (0.51) BCHECSNK1EF2TAAR1SLC6A2
SCHEMBL3358249 0.86 CSNK1E (0.51) BCHECSNK1EF2TAAR1SLC6A2
SCHEMBL6895260 0.86 CSNK1E (0.51) BCHECSNK1EF2TAAR1SLC6A2
SCHEMBL1286637 0.86 CSNK1E (0.51) BCHECSNK1EF2TAAR1SLC6A2
Hydrochloric Acid SCHEMBL7310009 0.86 CSNK1E (0.53) BCHECSNK1EF2TAAR1SLC6A2
SCHEMBL6885644 0.85 KDM4E (0.62) BCHECSNK1EAOC3F2KDM4E
Hydrochloric Acid SCHEMBL5223863 0.85 CSNK1E (0.50) BCHECSNK1EF2TAAR1SLC6A2

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 BCHE 3/4885CSNK1E 873/4885AOC3 277/4885

“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.