SCHEMBL7576393

SCHEMBL7576393

CN1C(=N)N[C@](C)(c2ccccc2F)[C@@H](c2ccc(C(F)(F)F)cc2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC11 Q96DB2 1/20 0.34
CCKAR P32238 2/20 0.33
CCKBR P32239 2/20 0.33
HIF1A Q16665 1/20 0.32
PGR P06401 1/20 0.32
NPSR1 Q6W5P4 2/20 0.31
AKR1B1 P15121 1/20 0.31
HTT P42858 1/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL13054077 1.00 ESR1 (0.36) ESR1MEN1KMT2AHDAC11CCKAR
SCHEMBL13053984 0.93 AKR1B1 (0.30) AKR1B1
SCHEMBL7551849 0.93 AKR1B1 (0.30) AKR1B1
SCHEMBL13055312 0.90
SCHEMBL7555379 0.90
SCHEMBL8203824 0.89 MEN1 (0.37) ESR1MEN1KMT2AHDAC11CCKAR
SCHEMBL2972452 0.89 MEN1 (0.37) ESR1MEN1KMT2AHDAC11CCKAR
SCHEMBL2972451 0.89 MEN1 (0.37) ESR1MEN1KMT2AHDAC11CCKAR
SCHEMBL14106299 0.89 RORC (0.31)
SCHEMBL13055329 0.89 KMT2A (0.35) MEN1KMT2APGRNPSR1AKR1B1

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 16 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-8829036-B2 Heterocyclic aspartyl protease inhibitors MERCK SHARP & DOHME CORP. (US) 2014-09-09 US disclosed
US-20120276118-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS PHARMACOPEIA INC. (US) 2012-11-01 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-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
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 (5 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 ESR1 1530/4885MEN1 1192/4885KMT2A 4458/4885
US-20120276118-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS BACE1, PRSS1, TMPRSS11D ESR1 2764/4885MEN1 364/4885KMT2A 3390/4885
US-20160356794-A1 ANTIBODIES THAT BIND TO HUMAN TAU AND ASSAY FOR QUANTIFYING HUMAN TAU USING THE ANTIBODIES MAPT, MAP4, MAP1B ESR1 4406/4885MEN1 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 ESR1 3564/4885MEN1 4299/4885KMT2A 4715/4885
US-20120231017-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS BACE1, PRSS1, TMPRSS11D ESR1 2764/4885MEN1 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.