SCHEMBL12854698

SCHEMBL12854698

COC[C@H]1CCCN1C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](OCc3ccccc3)CN2)c1

nearest known ligand 0.84

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.84
BACE2 Q9Y5Z0 4/20 0.84
CTSD P07339 3/20 0.68
CTSE P14091 3/20 0.68

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
SCHEMBL14457253 0.94 BACE1 (0.74) BACE1BACE2CTSDCTSE
SCHEMBL15678320 0.94 BACE1 (0.74) BACE1BACE2CTSDCTSE
SCHEMBL719404 0.92 BACE1 (1.00) BACE1BACE2CTSDCTSE
SCHEMBL719405 0.92 BACE1 (1.00) BACE1BACE2CTSDCTSE
SCHEMBL2846689 0.92 BACE1 (1.00) BACE1BACE2CTSDCTSE
SCHEMBL719403 0.92 BACE1 (1.00) BACE1BACE2CTSDCTSE
SCHEMBL2204117 0.90 BACE1 (0.79) BACE1BACE2CTSDCTSE
SCHEMBL2204110 0.90 BACE1 (0.79) BACE1BACE2CTSDCTSE
SCHEMBL2204119 0.90 BACE1 (0.79) BACE1BACE2CTSDCTSE
SCHEMBL8293945 0.89 BACE1 (0.77) BACE1BACE2CTSDCTSE

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-8278334-B2 Cyclic amine BACE-1 inhibitors having a benzamide substituent Merck, Sharp & Dohme Corp. (US) 2012-10-02 US disclosed
US-20100152138-A1 CYCLIC AMINE BACE-1 INHIBITORS HAVING A BENZAMIDE SUBSTITUENT SCHERING CORP. 2010-06-17 US disclosed
US-7662816-B2 Cyclic amine BACE-1 inhibitors having a benzamide substituent SCHERING CORPORATION (US) 2010-02-16 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-20100152138-A1 CYCLIC AMINE BACE-1 INHIBITORS HAVING A BENZAMIDE SUBSTITUENT BACE1, BACE2, BCHE BACE1 1/4885BACE2 2/4885CTSD 428/4885

“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.