SCHEMBL4351693

SCHEMBL4351693

COCC(=O)N[C@@H](Cc1cccc(C#N)c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ccc(C(=O)O)cc21

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.60
CYP3A4 P08684 11/20 0.60
CTSD P07339 4/20 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
SCHEMBL2076550 0.95 BACE1 (0.60) BACE1CYP3A4CTSD
SCHEMBL3573065 0.91 BACE1 (0.66) BACE1CYP3A4CTSD
SCHEMBL3573069 0.91 BACE1 (0.66) BACE1CYP3A4CTSD
SCHEMBL4344083 0.91 BACE1 (0.68) BACE1CYP3A4CTSD
SCHEMBL4342758 0.91 BACE1 (0.56) BACE1CYP3A4CTSD
SCHEMBL2076783 0.87 BACE1 (0.66) BACE1CYP3A4CTSD
SCHEMBL2079576 0.87 BACE1 (0.55) BACE1CYP3A4CTSD
SCHEMBL3574956 0.85 BACE1 (0.68) BACE1CYP3A4CTSD
SCHEMBL2078325 0.85 BACE1 (0.64) BACE1CYP3A4CTSD
SCHEMBL2078327 0.85 BACE1 (0.64) BACE1CYP3A4CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8552181-B2 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2013-10-08 US claimed
US-20120220583-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2012-08-30 US claimed
US-20090275602-A1 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2009-11-05 US claimed
US-20070185144-A1 Beta-secretase modulators and methods of use AMGEN INC. (US) 2007-08-09 US claimed
US-8552181-B2 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2013-10-08 US disclosed
US-20120220583-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2012-08-30 US disclosed
US-20090275602-A1 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2009-11-05 US disclosed
WO-2008147547-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2008-12-04 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 (3 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-20090275602-A1 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use BACE1, BACE2, APP BACE1 1/4885CYP3A4 806/4885CTSD 615/4885
US-20120220583-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP BACE1 1/4885CYP3A4 1411/4885CTSD 368/4885
US-20070185144-A1 Beta-secretase modulators and methods of use BACE1, BACE2, APP BACE1 1/4885CYP3A4 2514/4885CTSD 166/4885

“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.