SCHEMBL7599224

SCHEMBL7599224

CC(C)CC1(C)NC(=N)N(Cc2ccc(CNC(=O)Nc3cccc(N)c3)c(F)c2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 5/20 0.37
PKM P14618 1/20 0.37
MAPK1 P28482 1/20 0.37
BACE1 P56817 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 3/20 0.35
DDX3X O00571 1/20 0.34
NPY1R P25929 3/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL7600643 0.95 LMNA (0.42) LMNAALDH1A1RAB9APKMMAPK1
SCHEMBL7515383 0.89 POLB (0.39) LMNAALDH1A1RAB9AMAPK1BACE1
SCHEMBL8265116 0.89 BACE1 (0.46) LMNAALDH1A1RAB9ABACE1SMN1; SMN2
SCHEMBL7517157 0.89 LMNA (0.56) LMNARAB9APKMMAPK1SMN1; SMN2
SCHEMBL7517026 0.88 BACE1 (0.42) LMNAALDH1A1RAB9APKMMAPK1
SCHEMBL7519161 0.86 LMNA (0.42) LMNAALDH1A1RAB9APKMMAPK1
SCHEMBL7517802 0.84 LMNA (0.56) LMNARAB9APKMMAPK1SMN1; SMN2
SCHEMBL7522983 0.84 POLB (0.41) LMNAALDH1A1RAB9ABACE1SMN1; SMN2
SCHEMBL7522812 0.84 BACE1 (0.42) LMNAALDH1A1RAB9APKMBACE1
SCHEMBL7518180 0.83 DGAT2 (0.38) LMNAALDH1A1RAB9AKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20120231017-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS PHARMACOPEIA INC. (US) 2012-09-13 US disclosed
US-8242112-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-08-14 US disclosed
US-8183252-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-22 US disclosed
US-8178513-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-15 US disclosed
US-20110218194-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS Schering Corporation & Pharmacopeia Drug Discovery Inc. (US) 2011-09-08 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-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 (7 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 LMNA 2420/4885ALDH1A1 4505/4885RAB9A 2824/4885
US-20120276118-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS BACE1, PRSS1, TMPRSS11D LMNA 1624/4885ALDH1A1 3943/4885RAB9A 3578/4885
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 LMNA 927/4885ALDH1A1 4523/4885RAB9A 2387/4885
US-20110218194-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 LMNA 2420/4885ALDH1A1 4505/4885RAB9A 2824/4885
US-20090306047-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS PRSS1, BCHE, CTSZ LMNA 2376/4885ALDH1A1 4628/4885RAB9A 2946/4885
US-20130018066-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 LMNA 2420/4885ALDH1A1 4505/4885RAB9A 2824/4885
US-20120231017-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS BACE1, PRSS1, TMPRSS11D LMNA 1624/4885ALDH1A1 3943/4885RAB9A 3578/4885

“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.