SCHEMBL4700512

SCHEMBL4700512

COCC(C)(C)c1cccc(C2(NCC(O)C(N)Cc3cc(F)cc(F)c3)CC2)c1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.60
CTSD P07339 16/20 0.60
CYP3A4 P08684 1/20 0.56

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
SCHEMBL4753060 0.86 BACE1 (0.73) BACE1CTSDCYP3A4
SCHEMBL1938564 0.86 BACE1 (0.59) BACE1CTSDCYP3A4
SCHEMBL4701357 0.85 BACE1 (0.83) BACE1CTSDCYP3A4
SCHEMBL14498131 0.85 BACE1 (0.71) BACE1CTSDCYP3A4
Hydrochloric Acid SCHEMBL3012802 0.85 BACE1 (0.58) BACE1CTSDCYP3A4
SCHEMBL2877502 0.84 BACE1 (0.73) BACE1CTSD
SCHEMBL8281586 0.84 BACE1 (0.73) BACE1CTSD
Hydrochloric Acid SCHEMBL2875561 0.83 BACE1 (0.72) BACE1CTSD
Methylamine SCHEMBL5736229 0.83 BACE1 (0.72) BACE1CTSD
SCHEMBL5579048 0.83 BACE1 (0.58) BACE1CTSDCYP3A4

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
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
US-20070149525-A1 Methods of treating amyloidosis using aryl-cyclopropyl derivative aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2007-06-28 US 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.