SCHEMBL4880447

SCHEMBL4880447

CC(C)c1cccc(CNC[C@@H](O)[C@@H]2Cc3cccc(c3)CCCCOc3cc(cc(-c4ncco4)c3)C(=O)N2)c1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.65
CTSD P07339 4/20 0.64
CTSE P14091 4/20 0.64

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
SCHEMBL4877568 0.95 BACE1 (0.71) BACE1CTSDCTSE
SCHEMBL4878749 0.92 BACE1 (0.54) BACE1CTSDCTSE
SCHEMBL4873231 0.90 BACE1 (0.66) BACE1CTSDCTSE
SCHEMBL4872973 0.89 BACE1 (0.78) BACE1CTSDCTSE
SCHEMBL4879693 0.85 BACE1 (0.65) BACE1CTSDCTSE
SCHEMBL4881428 0.84 BACE1 (0.76) BACE1CTSDCTSE
SCHEMBL4872889 0.82 BACE1 (0.61) BACE1CTSDCTSE
SCHEMBL4881774 0.82 BACE1 (0.55) BACE1CTSDCTSE
SCHEMBL4882173 0.81 BACE1 (0.71) BACE1CTSDCTSE
SCHEMBL4882717 0.81 BACE1 (0.66) BACE1CTSDCTSE

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132477-A1 Macrocyclic Compounds Useful as Bace Inhibitors NOVARTIS AG (CH) 2008-06-05 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-20080132477-A1 Macrocyclic Compounds Useful as Bace Inhibitors BACE1, BACE2, APP BACE1 1/4885CTSD 14/4885CTSE 24/4885

“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.