SCHEMBL2016262

SCHEMBL2016262

CC(C)(C#N)COc1ccc2c(c1)[C@]1(COC(N)=N1)c1cc(-c3cccnc3)ccc1O2

nearest known ligand 0.83

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.83
KCNH2 Q12809 11/20 0.83
CTSD P07339 3/20 0.68
CTSE P14091 1/20 0.68
BACE2 Q9Y5Z0 1/20 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
SCHEMBL3280227 1.00 BACE1 (0.83) BACE1KCNH2CTSDCTSEBACE2
SCHEMBL15510280 0.93 BACE1 (0.75) BACE1KCNH2CTSDCTSEBACE2
SCHEMBL15509973 0.92 BACE1 (0.84) BACE1KCNH2CTSDCTSEBACE2
SCHEMBL15509658 0.91 BACE1 (1.00) BACE1KCNH2CTSDCTSEBACE2
SCHEMBL15510209 0.91 BACE1 (1.00) BACE1KCNH2CTSDCTSEBACE2
SCHEMBL1996474 0.89 BACE1 (0.87) BACE1KCNH2CTSDCTSEBACE2
SCHEMBL15509526 0.89 BACE1 (0.87) BACE1KCNH2CTSDCTSEBACE2
SCHEMBL3280427 0.89 BACE1 (0.87) BACE1KCNH2CTSDCTSEBACE2
SCHEMBL15510364 0.89 BACE1 (0.73) BACE1KCNH2CTSDCTSEBACE2
SCHEMBL15510596 0.88 BACE1 (0.85) BACE1KCNH2CTSDCTSEBACE2

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 16 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 claimed
US-8426447-B2 Spiro-tricyclic ring compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2013-04-23 US claimed
EP-2328903-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETASECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2011-06-08 EP claimed
US-20100087429-A1 SPIRO-TRICYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2010-04-08 US claimed
WO-2010030954-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETASECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2010-03-18 WO claimed
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
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
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 1/4885KCNH2 3343/4885CTSD 747/4885

“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.