SCHEMBL4878867

SCHEMBL4878867

CN(C)C(=O)c1cc2cc(c1)C(=O)N[C@H]([C@H]1CO1)Cc1cccc(c1)OCCCCO2

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 5/20 0.44
ITGA2 P17301 5/20 0.44
BACE1 P56817 14/20 0.40
CTSD P07339 5/20 0.36
CTSE P14091 3/20 0.36
PSMB8 P28062 1/20 0.35
PSMB5 P28074 1/20 0.35

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
SCHEMBL4881346 0.81 BACE1 (0.48) BACE1CTSDCTSE
SCHEMBL4879235 0.73 BACE1 (0.71) BACE1CTSDCTSE
SCHEMBL4878446 0.73 BACE1 (0.57) BACE1CTSDCTSE
SCHEMBL4881777 0.72 BACE1 (0.52) BACE1CTSDCTSE
SCHEMBL4872647 0.72 ITGB1 (0.41) ITGB1ITGA2BACE1CTSDCTSE
SCHEMBL4872651 0.72 ITGB1 (0.41) ITGB1ITGA2BACE1CTSDCTSE
SCHEMBL2346936 0.68 ITGB1 (0.40) ITGB1ITGA2BACE1CTSDPSMB8
SCHEMBL8318007 0.60 BACE1 (0.90) ITGB1ITGA2BACE1CTSD
SCHEMBL22800184 0.56 ITGB1 (0.43) ITGB1ITGA2PSMB5
SCHEMBL27876786 0.53 SMN1; SMN2 (0.55)

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 3 patents. 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
EP-1851208-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS Novartis AG (CH) 2007-11-07 EP disclosed
WO-2006074950-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2006-07-20 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-20080132477-A1 Macrocyclic Compounds Useful as Bace Inhibitors BACE1, BACE2, APP ITGB1 3026/4885ITGA2 4036/4885BACE1 1/4885

“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.