SCHEMBL8200230

SCHEMBL8200230

COc1ccc(CNC(C)c2ccccc2)c(-c2cccc(C3(C)CC(=N)N(CC4CCN(C(C)=O)CC4)C3=O)c2)c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 10/20 0.35
SLC6A4 P31645 6/20 0.35
KCNH2 Q12809 5/20 0.35
MGAT2 Q10469 1/20 0.35
DGAT2 Q96PD7 1/20 0.35
ACP1 P24666 2/20 0.35
BACE1 P56817 1/20 0.35
PIK3CG P48736 1/20 0.34
CASR P41180 1/20 0.34
CCR3 P51677 1/20 0.34
MMP13 P45452 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL7540926 0.87 BACE1 (0.36) NPY1RSLC6A4KCNH2DGAT2ACP1
SCHEMBL13558241 0.82 DGAT2 (0.37) MGAT2DGAT2ACP1PIK3CGCASR
SCHEMBL8199858 0.82 KMT2A (0.37) ACP1BACE1PIK3CGMMP13
SCHEMBL8210950 0.79 SCN9A (0.36) BACE1CCR3
SCHEMBL2969070 0.76 ACP1 (0.39) MGAT2DGAT2ACP1BACE1PIK3CG
SCHEMBL7568353 0.76 RXFP1 (0.39) ACP1BACE1PIK3CGCCR3MMP13
SCHEMBL8198086 0.75 BACE1 (0.42) BACE1
SCHEMBL7566199 0.74 BACE1 (0.40) MGAT2DGAT2ACP1BACE1PIK3CG
SCHEMBL7573154 0.74 ACP1 (0.37) ACP1BACE1PIK3CGCCR3MMP13
SCHEMBL7581366 0.74 BACE1 (0.40) ACP1BACE1PIK3CGMMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-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 NPY1R 1177/4885SLC6A4 3316/4885KCNH2 4470/4885

“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.