SCHEMBL7581233

SCHEMBL7581233

CN1C(=N)N[C@](C)(c2ccc(F)cc2)[C@@H](c2ccc(C(C)(F)F)cc2)C1=O

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.34
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SLC6A9 P48067 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
SCHEMBL13054347 1.00 RORC (0.34) RORCMEN1KMT2ASLC6A9
SCHEMBL7581539 0.92 TP53 (0.34) RORCMEN1KMT2A
SCHEMBL7585732 0.92 MEN1 (0.37) RORCMEN1KMT2ASLC6A9
SCHEMBL13054757 0.92 TP53 (0.34) RORCMEN1KMT2A
SCHEMBL13054488 0.92 MEN1 (0.37) RORCMEN1KMT2ASLC6A9
SCHEMBL7572610 0.91 MAPT (0.34) MEN1KMT2A
SCHEMBL13054373 0.91 MAPT (0.34) MEN1KMT2A
SCHEMBL7574385 0.90 KDM4E (0.34) RORCMEN1KMT2A
SCHEMBL7560928 0.90 KDM4E (0.34) RORCMEN1KMT2A
SCHEMBL13054304 0.88 BACE1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160356794-A1 ANTIBODIES THAT BIND TO HUMAN TAU AND ASSAY FOR QUANTIFYING HUMAN TAU USING THE ANTIBODIES MERCK SHARP & DOHME CORP. (US) 2016-12-08 US disclosed
US-20160356794-A1 ANTIBODIES THAT BIND TO HUMAN TAU AND ASSAY FOR QUANTIFYING HUMAN TAU USING THE ANTIBODIES MERCK SHARP & DOHME CORP. (US) 2016-12-08 US disclosed
WO-2015120364-A1 ANTIBODIES THAT BIND TO HUMAN TAU AND ASSAY FOR QUANTIFYING HUMAN TAU USING THE ANTIBODIES MERCK SHARP & DOHME CORP. (US) 2015-08-13 WO disclosed
US-20120231017-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS PHARMACOPEIA INC. (US) 2012-09-13 US disclosed
US-8183252-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-22 US disclosed
US-8183252-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-22 US disclosed
US-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 US disclosed
US-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 US disclosed
US-7763609-B2 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 (US) 2010-07-27 US disclosed
US-7763609-B2 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 (US) 2010-07-27 US 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 RORC 2929/4885MEN1 1192/4885KMT2A 4458/4885
US-20160356794-A1 ANTIBODIES THAT BIND TO HUMAN TAU AND ASSAY FOR QUANTIFYING HUMAN TAU USING THE ANTIBODIES MAPT, MAP4, MAP1B RORC 3255/4885MEN1 2061/4885KMT2A 2670/4885
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 RORC 3384/4885MEN1 4299/4885KMT2A 4715/4885
US-20120231017-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS BACE1, PRSS1, TMPRSS11D RORC 4010/4885MEN1 364/4885KMT2A 3390/4885

“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.