SCHEMBL1801475

SCHEMBL1801475

CC(C)(C)[Si](C)(C)O[C@H](c1nccs1)[C@H](Cc1cc(Cl)c2c(c1)OCO2)NC(=O)O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.34
TDP1 Q9NUW8 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MAPK8 P45983 1/20 0.31
EDNRA P25101 3/20 0.31
FAAH O00519 1/20 0.31
EDNRB P24530 2/20 0.31
MCHR1 Q99705 2/20 0.31
PDE5A O76074 1/20 0.30

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
SCHEMBL1799870 0.84 NPC1 (0.31) CNR2TDP1NPC1RAB9A
SCHEMBL1794725 0.83 MAPK8 (0.35) CNR2TDP1NPC1RAB9AMAPK8
SCHEMBL1799872 0.81 CNR2 (0.35) CNR2
SCHEMBL1795432 0.80 POLB (0.32) NPC1RAB9A
SCHEMBL2769657 0.80 FPR1 (0.33) NPC1RAB9AEDNRA
SCHEMBL1797443 0.73 CMA1 (0.38) NPC1RAB9AMAPK8FAAH
SCHEMBL1798770 0.73 EDNRA (0.32) CNR2TDP1MAPK8EDNRAEDNRB
SCHEMBL2628498 0.71 NPC1 (0.33) NPC1RAB9A
SCHEMBL1799693 0.71 CTSK (0.36) TDP1MAPK8
SCHEMBL1799689 0.71 CTSK (0.36) TDP1MAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8552181-B2 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2013-10-08 US disclosed
US-20120220583-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2012-08-30 US disclosed
US-8163909-B2 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2012-04-24 US disclosed
US-7951838-B2 Substituted spirocyclic chromanamine compounds as Beta-Secretase modulators and methods of use AMGEN INC. (US) 2011-05-31 US disclosed
US-20100317668-A1 SUBSTITUTED PYRANO [2,3-B] PYRIDINAMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2010-12-16 US disclosed
US-20090275602-A1 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2009-11-05 US disclosed
WO-2009064418-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2009-05-22 WO disclosed
WO-2008147547-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2008-12-04 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 (3 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-20090275602-A1 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use BACE1, BACE2, APP CNR2 618/4885TDP1 825/4885NPC1 3218/4885
US-20100317668-A1 SUBSTITUTED PYRANO [2,3-B] PYRIDINAMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, APP, BACE2 CNR2 334/4885TDP1 440/4885NPC1 3538/4885
US-20120220583-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP CNR2 656/4885TDP1 677/4885NPC1 2590/4885

“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.