SCHEMBL1995298

SCHEMBL1995298

CC(C)(C)COc1ccc2c(c1)C(C)(O)c1cc(-c3cccnc3)ncc1O2

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 18/20 0.57
KCNH2 Q12809 9/20 0.57
CTSD P07339 2/20 0.47
CTSE P14091 1/20 0.47
BACE2 Q9Y5Z0 1/20 0.47
P4HTM Q9NXG6 1/20 0.42
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL12212407 0.82 BACE1 (0.85) BACE1KCNH2CTSDCTSEBACE2
SCHEMBL15509922 0.82 BACE1 (0.85) BACE1KCNH2CTSDCTSEBACE2
SCHEMBL2370637 0.81 BACE1 (0.66) BACE1KCNH2CTSDCTSEBACE2
SCHEMBL1996802 0.79 BACE1 (0.51) BACE1KCNH2CTSDCTSEBACE2
SCHEMBL15510209 0.73 BACE1 (1.00) BACE1KCNH2CTSDCTSEBACE2
SCHEMBL1999075 0.71 BACE1 (0.44) BACE1KCNH2P4HTMNPC1RAB9A
SCHEMBL2009827 0.69 BACE1 (0.89) BACE1KCNH2CTSDCTSEBACE2
SCHEMBL1998065 0.69 BACE1 (0.89) BACE1KCNH2CTSDCTSEBACE2
SCHEMBL1998070 0.69 BACE1 (0.89) BACE1KCNH2CTSDCTSEBACE2
SCHEMBL12251031 0.68 CYP19A1 (0.54) BACE1KCNH2P4HTMNPC1RAB9A

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
US-8883782-B2 Spiro-tetracyclic ring compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2014-11-11 US 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
EP-2547685-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA - SECRETASE MODULATORS Amgen Inc. (US) 2013-01-23 EP disclosed
US-20110251190-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-10-13 US disclosed
WO-2011115938-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA - SECRETASE MODULATORS AMGEN INC. (US) 2011-09-22 WO 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
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 (2 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-20110251190-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP BACE1 1/4885KCNH2 3129/4885CTSD 680/4885
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.