SCHEMBL4333769

SCHEMBL4333769

CC(C)c1ccc2c(c1)C(NC[C@@H](O)[C@@H](N)Cc1ccccc1)CC(C)(C)O2

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.56
CTSD P07339 14/20 0.56
BACE2 Q9Y5Z0 4/20 0.56
F2 P00734 1/20 0.36

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
SCHEMBL924766 0.89 BACE1 (0.57) BACE1CTSDBACE2
SCHEMBL924767 0.89 BACE1 (0.57) BACE1CTSDBACE2
SCHEMBL924428 0.88 BACE1 (0.55) BACE1CTSDBACE2
SCHEMBL924430 0.88 BACE1 (0.55) BACE1CTSDBACE2
SCHEMBL4045626 0.88 BACE1 (0.56) BACE1CTSDBACE2
Hydrochloric Acid SCHEMBL925290 0.87 BACE1 (0.60) BACE1CTSDBACE2
Hydrochloric Acid SCHEMBL924364 0.87 BACE1 (0.60) BACE1CTSDBACE2
Hydrochloric Acid SCHEMBL924365 0.87 BACE1 (0.60) BACE1CTSDBACE2
Hydrochloric Acid SCHEMBL925288 0.87 BACE1 (0.60) BACE1CTSDBACE2
SCHEMBL4048800 0.83 BACE1 (0.44) BACE1CTSDBACE2F2

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 2 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
US-20070111991-A1 Novel dibenzo [b, f] oxepine-10-carboxamides and pharmaceutical uses thereof NOVARTIS AG (CH) 2007-05-17 US 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 1669/4885BACE2 4/4885

“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.