SCHEMBL1999075

SCHEMBL1999075

CC(C)(C)COc1ccc2oc3cnc(-c4cccnc4)cc3c(=O)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.44
KCNH2 Q12809 1/20 0.44
P4HTM Q9NXG6 1/20 0.44
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SIGMAR1 Q99720 2/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
CASP3 P42574 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
MAOA P21397 2/20 0.39
PIM1 P11309 4/20 0.38
PIM3 Q86V86 3/20 0.38
PIM2 Q9P1W9 3/20 0.38
ACSL1 P33121 2/20 0.38

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
SCHEMBL1992749 0.86 KDM4E (0.58) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL2371768 0.79 BACE1 (0.48) BACE1KCNH2P4HTMNPC1RAB9A
SCHEMBL2001349 0.78 MAOA (0.52) KCNH2NPC1RAB9AKDM4EMAPT
SCHEMBL1995244 0.74 KDM4E (0.51) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL1996802 0.73 BACE1 (0.51) BACE1KCNH2P4HTMNPC1RAB9A
SCHEMBL1995298 0.71 BACE1 (0.57) BACE1KCNH2P4HTMNPC1RAB9A
SCHEMBL12251031 0.70 CYP19A1 (0.54) BACE1KCNH2P4HTMNPC1RAB9A
SCHEMBL2371100 0.69 BACE1 (0.42) BACE1KCNH2MAPT
SCHEMBL22172016 0.66 CASP3 (0.53) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL22868035 0.66 NPC1 (0.71) NPC1RAB9AKDM4EALDH1A1MAPT

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 3129/4885P4HTM 1744/4885
US-20100087429-A1 SPIRO-TRICYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP BACE1 1/4885KCNH2 3343/4885P4HTM 2107/4885

“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.