SCHEMBL7539863

SCHEMBL7539863

CN1C(=N)N[C@](CCC2CCCCC2)(C[C@@H]2CCCC(=NO)C2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.36
CTSD P07339 12/20 0.36
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32

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
SCHEMBL7537835 0.86 BACE1 (0.40) BACE1CTSDPRMT5WDR77
SCHEMBL8267635 0.86 BACE1 (0.40) BACE1CTSDPRMT5WDR77
SCHEMBL7516539 0.84 BACE1 (0.48) BACE1CTSDPRMT5WDR77
SCHEMBL7511526 0.84 BACE1 (0.48) BACE1CTSDPRMT5WDR77
SCHEMBL7535359 0.83 BACE1 (0.32) BACE1CTSD
SCHEMBL13722493 0.79 BACE1 (0.41) BACE1CTSDPRMT5WDR77
SCHEMBL8265638 0.79 BACE1 (0.41) BACE1CTSDPRMT5WDR77
SCHEMBL7511647 0.79 BACE1 (0.41) BACE1CTSDPRMT5WDR77
SCHEMBL7519531 0.79 BACE1 (0.41) BACE1CTSDPRMT5WDR77
SCHEMBL7514391 0.79 BACE1 (0.41) BACE1CTSDPRMT5WDR77

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9416108-B2 Heterocyclic aspartyl protease inhibitors MERCK SHARP & DOHME CORP. (US) 2016-08-16 US disclosed
US-9416108-B2 Heterocyclic aspartyl protease inhibitors MERCK SHARP & DOHME CORP. (US) 2016-08-16 US disclosed
US-20150105354-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-04-16 US disclosed
US-20150105354-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-04-16 US disclosed
US-8937093-B2 Heterocyclic aspartyl protease inhibitors MERCK SHARP & DOHME CORP. (US) 2015-01-20 US disclosed
US-8829036-B2 Heterocyclic aspartyl protease inhibitors MERCK SHARP & DOHME CORP. (US) 2014-09-09 US disclosed
US-8778980-B2 Heterocyclic aspartyl protease inhibitors MERCK SHARP & DOHME CORP. (US) 2014-07-15 US disclosed
US-20140057910-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION (US) 2014-02-27 US disclosed
US-20130018066-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS Schering Corporation & Pharmacopeia Drug Discovery Inc. (US) 2013-01-17 US disclosed
US-20120276118-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS PHARMACOPEIA INC. (US) 2012-11-01 US disclosed
US-20110218194-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS Schering Corporation & Pharmacopeia Drug Discovery Inc. (US) 2011-09-08 US disclosed
US-7973067-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2011-07-05 US disclosed
US-7973067-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2011-07-05 US disclosed
US-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 US disclosed
US-7700603-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2010-04-20 US disclosed
US-20090306047-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2009-12-10 US disclosed
US-20090258868-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2009-10-15 US disclosed
US-20090258868-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2009-10-15 US disclosed
US-7592348-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2009-09-22 US disclosed
US-20070072852-A1 2-(Imino-),3,6-(dimethyl-),4-(oxo=),6-(3-(methoxy-)phenyl)-(1,4-phenylene)-perhydropyrimidine; aspartyl protease inhibitors; cardiovascular diseases; cognition activators; neurodegenerative diseases; viricides; HIV; enzyme inhibitors of plasmepins, cathepsin D and protozoal enzymes; hypotensive agents SCHERING CORPORATION 2007-03-29 US 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 (9 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-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 BACE1 8/4885CTSD 13/4885PRMT5 241/4885
US-20120276118-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS BACE1, PRSS1, TMPRSS11D BACE1 1/4885CTSD 8/4885PRMT5 895/4885
US-20140057910-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS PRSS1, BCHE, CTSZ BACE1 6/4885CTSD 11/4885PRMT5 241/4885
US-20070072852-A1 2-(Imino-),3,6-(dimethyl-),4-(oxo=),6-(3-(methoxy-)phenyl)-(1,4-phenylene)-perhydropyrimidine; aspartyl protease inhibitors; cardiovascular diseases; cognition activators; neurodegenerative diseases; viricides; HIV; enzyme inhibitors of plasmepins, cathepsin D and protozoal enzymes; hypotensive agents CTSD, PRSS1, CTSZ BACE1 20/4885CTSD 1/4885PRMT5 804/4885
US-20110218194-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 BACE1 8/4885CTSD 13/4885PRMT5 241/4885
US-20090306047-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS PRSS1, BCHE, CTSZ BACE1 6/4885CTSD 11/4885PRMT5 241/4885
US-20090258868-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 BACE1 8/4885CTSD 13/4885PRMT5 241/4885
US-20130018066-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 BACE1 8/4885CTSD 13/4885PRMT5 241/4885
US-20150105354-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS PRSS1, BCHE, CTSZ BACE1 6/4885CTSD 11/4885PRMT5 241/4885

“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.