SCHEMBL2014562

SCHEMBL2014562

CC(C)(O)C#Cc1ccc2c(c1)C1(COC(N)=N1)c1cc(C#CC(C)(C)O)cnc1O2

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.73
BACE2 Q9Y5Z0 4/20 0.73
KCNH2 Q12809 12/20 0.72
CTSD P07339 3/20 0.53
CTSE P14091 1/20 0.44

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
SCHEMBL15510157 1.00 BACE1 (0.73) BACE1BACE2KCNH2CTSDCTSE
SCHEMBL15510152 1.00 BACE1 (0.73) BACE1BACE2KCNH2CTSDCTSE
SCHEMBL1994457 0.93 BACE1 (0.70) BACE1BACE2KCNH2CTSDCTSE
SCHEMBL1998201 0.93 BACE1 (0.70) BACE1BACE2KCNH2CTSDCTSE
SCHEMBL1994451 0.93 BACE1 (0.70) BACE1BACE2KCNH2CTSDCTSE
SCHEMBL15510346 0.93 BACE1 (0.65) BACE1BACE2KCNH2CTSDCTSE
SCHEMBL2372167 0.93 BACE1 (0.65) BACE1BACE2KCNH2CTSDCTSE
SCHEMBL1995865 0.93 BACE1 (0.65) BACE1BACE2KCNH2CTSDCTSE
SCHEMBL15509505 0.93 BACE1 (0.65) BACE1BACE2KCNH2CTSD
SCHEMBL2013840 0.93 BACE1 (0.65) BACE1BACE2KCNH2CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2328903-B1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETASECRETASE MODULATORS AND METHODS OF USE AMGEN INC (US) 2014-03-05 EP disclosed
EP-2328903-B1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETASECRETASE MODULATORS AND METHODS OF USE AMGEN INC (US) 2014-03-05 EP disclosed
US-8426447-B2 Spiro-tricyclic ring compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2013-04-23 US disclosed
US-8426447-B2 Spiro-tricyclic ring compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2013-04-23 US disclosed
US-8426447-B2 Spiro-tricyclic ring compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2013-04-23 US disclosed
EP-2328903-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETASECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2011-06-08 EP disclosed
US-20100087429-A1 SPIRO-TRICYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2010-04-08 US disclosed
US-20100087429-A1 SPIRO-TRICYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2010-04-08 US disclosed
WO-2010030954-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETASECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2010-03-18 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-20100087429-A1 SPIRO-TRICYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP BACE1 1/4885BACE2 2/4885KCNH2 3343/4885

“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.