SCHEMBL8210288

SCHEMBL8210288

CC1(c2cccc(-c3cccc(Cl)c3)c2)NC(=N)N(C[C@@H]2CCN(C(=O)Nc3ccccc3)C2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FASN P49327 4/20 0.46
OPRK1 P41145 2/20 0.43
CTSD P07339 1/20 0.41
BACE1 P56817 1/20 0.41
GRIN2B Q13224 1/20 0.40
EPHX1 P07099 1/20 0.39
EPHX2 P34913 1/20 0.39
SCN5A Q14524 1/20 0.39
CCR2 P41597 1/20 0.39
KCNH2 Q12809 1/20 0.39
FAAH O00519 3/20 0.38
CCR3 P51677 1/20 0.38
MGLL Q99685 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL7565368 1.00 FASN (0.46) FASNOPRK1CTSDBACE1GRIN2B
SCHEMBL7601383 0.90 EPHX1 (0.49) FASNCTSDBACE1GRIN2BEPHX1
SCHEMBL13054310 0.90 EPHX1 (0.49) FASNCTSDBACE1GRIN2BEPHX1
SCHEMBL12174301 0.89 FASN (0.44) FASNCTSDBACE1EPHX1EPHX2
SCHEMBL7570386 0.89 FASN (0.44) FASNCTSDBACE1EPHX1EPHX2
SCHEMBL8211637 0.89 FASN (0.44) FASNCTSDBACE1EPHX1EPHX2
SCHEMBL2969191 0.88 FASN (0.47) FASNCTSDBACE1EPHX1EPHX2
SCHEMBL12173774 0.88 FASN (0.47) FASNCTSDBACE1EPHX1EPHX2
SCHEMBL2969188 0.88 FASN (0.47) FASNCTSDBACE1EPHX1EPHX2
SCHEMBL8199131 0.88 FASN (0.47) FASNCTSDBACE1EPHX1EPHX2

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 FASN 3045/4885OPRK1 2496/4885CTSD 6/4885

“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.