SCHEMBL4036954

SCHEMBL4036954

CC(C(N)=O)c1cccc(CNC[C@H](O)[CH]Cc2cccc(F)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.46
CTSD P07339 1/20 0.46
BCHE P06276 3/20 0.40
MAOB P27338 5/20 0.40
MAOA P21397 2/20 0.40
SCN9A Q15858 1/20 0.40
ANPEP P15144 1/20 0.37
OPRM1 P35372 1/20 0.37

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
SCHEMBL4041675 0.94 BACE1 (0.50) BACE1CTSDBCHE
SCHEMBL3939381 0.89 BCHE (0.47) BACE1CTSDBCHE
SCHEMBL7048932 0.77 DNM1 (0.48) BACE1BCHEMAOB
SCHEMBL3348652 0.76 BACE1 (0.41) BACE1CTSD
SCHEMBL3355569 0.74 BACE1 (0.42) BACE1CTSD
SCHEMBL6647479 0.73 BACE1 (0.46) BACE1CTSD
SCHEMBL3351919 0.73 BACE1 (0.46) BACE1CTSD
SCHEMBL30631966 0.72 EPHX1 (0.50)
SCHEMBL3886825 0.72 EPHX1 (0.50)
Hydrochloric Acid SCHEMBL27769803 0.71 EPHX1 (0.49)

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 1669/4885BCHE 3/4885

“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.