SCHEMBL4819302

SCHEMBL4819302

CC1(c2cccc(C3(NCC(O)C(Cc4cc(F)cc(F)c4)N(C(=O)O)C(C)(C)C)CC3)c2)CCCO1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.69
CTSD P07339 11/20 0.51
CYP3A4 P08684 1/20 0.49

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
SCHEMBL5368992 0.85 BACE1 (0.55) BACE1CTSDCYP3A4
SCHEMBL5368986 0.85 BACE1 (0.55) BACE1CTSDCYP3A4
SCHEMBL5378030 0.84 BACE1 (0.60) BACE1CTSDCYP3A4
SCHEMBL5374434 0.84 BACE1 (0.60) BACE1CTSDCYP3A4
SCHEMBL5374427 0.84 BACE1 (0.60) BACE1CTSDCYP3A4
SCHEMBL5378038 0.84 BACE1 (0.60) BACE1CTSDCYP3A4
SCHEMBL3025782 0.84 BACE1 (0.60) BACE1CTSDCYP3A4
SCHEMBL3025779 0.84 BACE1 (0.60) BACE1CTSDCYP3A4
SCHEMBL4697982 0.83 BACE1 (0.89) BACE1CTSDCYP3A4
SCHEMBL3167620 0.82 BACE1 (0.56) BACE1CTSD

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
EP-1937638-A1 METHODS OF TREATING AMYLOIDOSIS USING ARYL-CYCLOPROPYL DERIVATIVE ASPARTYL PROTEASE INHIBITORS Elan Pharmaceuticals Inc. (US) 2008-07-02 EP disclosed
US-20070149525-A1 Methods of treating amyloidosis using aryl-cyclopropyl derivative aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2007-06-28 US disclosed
WO-2007047306-A1 METHODS OF TREATING AMYLOIDOSIS USING ARYL-CYCLOPROPYL DERIVATIVE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2007-04-26 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-20070149525-A1 Methods of treating amyloidosis using aryl-cyclopropyl derivative aspartyl protease inhibitors APP, DNPEP, ASPH BACE1 5/4885CTSD 51/4885CYP3A4 2616/4885

“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.