SCHEMBL7542375

SCHEMBL7542375

COc1cccc(NC(=O)N2CCC(CN3C(=N)NC(c4ccccc4)(c4ccccc4)C3=O)CC2)c1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 4/20 0.59
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
POLB P06746 1/20 0.57
GRIN2B Q13224 4/20 0.49
HTT P42858 1/20 0.49
THRB P10828 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
ALOX15 P16050 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46

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
SCHEMBL7542389 0.91 MEN1 (0.57) CCR3MEN1KMT2APOLBGRIN2B
SCHEMBL7539379 0.89 FAAH (0.57) CCR3MEN1KMT2APOLBGRIN2B
SCHEMBL7583570 0.87 NPC1 (0.52) CCR3THRBNPC1SMN1; SMN2
SCHEMBL7574155 0.87 GRIN2B (0.47) MEN1KMT2AGRIN2BHTTTHRB
SCHEMBL7541714 0.85 TP53 (0.56) MEN1KMT2APOLBGRIN2BHTT
SCHEMBL7546723 0.84 KMT2A (0.45) MEN1KMT2AGRIN2BNPC1
SCHEMBL7546529 0.84 FAAH (0.55) MEN1KMT2APOLBGRIN2BTHRB
SCHEMBL7529851 0.84 CCR3 (0.53) CCR3POLBGRIN2BHTTTHRB
SCHEMBL7529419 0.84 LMNA (0.59) CCR3MEN1KMT2APOLBHTT
SCHEMBL8414694 0.83 NPC1 (0.49) MEN1KMT2APOLBTHRBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8778980-B2 Heterocyclic aspartyl protease inhibitors MERCK SHARP & DOHME CORP. (US) 2014-07-15 US disclosed
US-20130018066-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS Schering Corporation & Pharmacopeia Drug Discovery Inc. (US) 2013-01-17 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-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-20120231018-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS PHARMACOPEIA INC. (US) 2012-09-13 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-7700603-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2010-04-20 US disclosed
US-7700603-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2010-04-20 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-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
WO-2006065277-A2 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION (US) 2006-06-22 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 (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 CCR3 990/4885MEN1 1192/4885KMT2A 4458/4885
US-20120276118-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS BACE1, PRSS1, TMPRSS11D CCR3 2133/4885MEN1 364/4885KMT2A 3390/4885
US-20120231018-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS BACE1, PRSS1, TMPRSS11D CCR3 2133/4885MEN1 364/4885KMT2A 3390/4885
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 CCR3 617/4885MEN1 4299/4885KMT2A 4715/4885
US-20090258868-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 CCR3 990/4885MEN1 1192/4885KMT2A 4458/4885
US-20130018066-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 CCR3 990/4885MEN1 1192/4885KMT2A 4458/4885
US-20120231017-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS BACE1, PRSS1, TMPRSS11D CCR3 2133/4885MEN1 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.