SCHEMBL7599250

SCHEMBL7599250

CCCCNS(=O)(=O)c1cc2ccc(CN)cc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 17/20 0.44
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL1354948 0.76 CNR1 (0.55) CNR1
SCHEMBL27880087 0.75 CA2 (0.61) CNR1SMN1; SMN2
SCHEMBL8205094 0.73 CNR1 (0.41) CNR1
SCHEMBL7563902 0.72 CNR1 (0.38) CNR1LMNA
SCHEMBL8192248 0.68 ALOX15 (0.36) LMNASMN1; SMN2ALOX15
SCHEMBL8983658 0.67 CNR1 (0.56) CNR1
SCHEMBL7599244 0.66 ALDH1A1 (0.41) LMNASMN1; SMN2
SCHEMBL23482013 0.66 LOXL2 (0.46)
SCHEMBL6918547 0.65 CNR1 (0.62) CNR1
SCHEMBL3701679 0.63 LMNA (0.63) LMNAHTTSMN1; SMN2

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 27 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
EP-2097387-B1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2016-05-04 EP disclosed
EP-2343069-B1 Heterocyclic aspartyl protease inhibitors MERCK SHARP & DOHME (US) 2016-03-02 EP 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-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-20120231017-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS PHARMACOPEIA INC. (US) 2012-09-13 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-7592348-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2009-09-22 US disclosed
EP-1838304-B1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORP (US) 2009-08-19 EP disclosed
WO-2008103351-A2 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION (US) 2008-08-28 WO disclosed
US-20080200445-A1 Use in treatment of cardiovascular diseases, cognitive and neurodegenerative diseases, inhibitors of Human Immunodeficiency Virus, plasmepsins, cathepsin D and protozoal enzymes; 4-imidazolidinone, 5-(3'-chloro[1,1'-biphenyl]-3-yl)-5-cyclopropyl-2-imino-3-(2,2,2-trifluoroethyl)-, for example SCHERING CORPORATION & PHARMACOPEIA DRUG DISCOVERY, INC. 2008-08-21 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
WO-2006065277-A2 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION (US) 2006-06-22 WO disclosed
WO-2005058311-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION (US) 2005-06-30 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 (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-20120276118-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS BACE1, PRSS1, TMPRSS11D CNR1 3193/4885LMNA 1624/4885HTT 1075/4885
US-20140057910-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS PRSS1, BCHE, CTSZ CNR1 1372/4885LMNA 2376/4885HTT 1558/4885
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 CNR1 2024/4885LMNA 927/4885HTT 844/4885
US-20090306047-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS PRSS1, BCHE, CTSZ CNR1 1372/4885LMNA 2376/4885HTT 1558/4885
US-20080200445-A1 Use in treatment of cardiovascular diseases, cognitive and neurodegenerative diseases, inhibitors of Human Immunodeficiency Virus, plasmepsins, cathepsin D and protozoal enzymes; 4-imidazolidinone, 5-(3'-chloro[1,1'-biphenyl]-3-yl)-5-cyclopropyl-2-imino-3-(2,2,2-trifluoroethyl)-, for example CTSZ, CTSL, PRSS1 CNR1 1322/4885LMNA 1236/4885HTT 715/4885
US-20090258868-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 CNR1 953/4885LMNA 2420/4885HTT 1781/4885
US-20130018066-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 CNR1 953/4885LMNA 2420/4885HTT 1781/4885
US-20150105354-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS PRSS1, BCHE, CTSZ CNR1 1372/4885LMNA 2376/4885HTT 1558/4885
US-20120231017-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS BACE1, PRSS1, TMPRSS11D CNR1 3193/4885LMNA 1624/4885HTT 1075/4885

“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.