SCHEMBL8200868

SCHEMBL8200868

CN1C(=N)N[C@](C)(c2cc(-c3ccc(F)c(C#N)c3)c([N+](=O)[O-])s2)CC1=O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.36
PGR P06401 2/20 0.34
BACE1 P56817 7/20 0.33
PLA2G7 Q13093 6/20 0.33
BACE2 Q9Y5Z0 2/20 0.33
CYP3A4 P08684 1/20 0.30
SCN5A Q14524 1/20 0.30
SCN9A Q15858 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
SCHEMBL8203476 0.87 BRD4 (0.34)
SCHEMBL7581282 0.87 PLA2G7 (0.38) ARPGRBACE1PLA2G7BACE2
SCHEMBL7559691 0.87 AR (0.36) ARPGRBACE1PLA2G7BACE2
SCHEMBL8199276 0.86 PGR (0.34) ARPGRBACE1PLA2G7BACE2
SCHEMBL12191074 0.86 PGR (0.34) ARPGRBACE1PLA2G7BACE2
SCHEMBL7543190 0.86 AR (0.36) ARPGRBACE1PLA2G7BACE2
SCHEMBL7558059 0.84 AR (0.34) ARPGRBACE1PLA2G7BACE2
SCHEMBL7550629 0.81 PGR (0.37) ARPGRBACE1PLA2G7BACE2
SCHEMBL7601268 0.81 BACE1 (0.45) ARPGRBACE1PLA2G7BACE2
SCHEMBL12191144 0.81 BACE1 (0.45) ARPGRBACE1PLA2G7BACE2

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 2 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-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 AR 4773/4885PGR 2750/4885BACE1 41/4885

“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.