SCHEMBL8201211

SCHEMBL8201211

CC1(c2cccc(-c3cccc(Cl)c3)c2)NC(=N)N(CC2CCN(C(=O)Cc3ccccc3)C2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FASN P49327 4/20 0.46
TACR3 P29371 1/20 0.43
BACE1 P56817 2/20 0.40
CTSD P07339 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
OPRD1 P41143 2/20 0.38
OPRK1 P41145 2/20 0.38
OPRM1 P35372 1/20 0.38
EPHX1 P07099 1/20 0.38
EPHX2 P34913 1/20 0.38
SCN5A Q14524 1/20 0.38
ATM Q13315 1/20 0.37
POLB P06746 1/20 0.37
ORAI1 Q96D31 1/20 0.37
CCR3 P51677 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
SCHEMBL2967863 1.00 FASN (0.46) FASNTACR3BACE1CTSDKMT2A
SCHEMBL2967868 1.00 FASN (0.46) FASNTACR3BACE1CTSDKMT2A
SCHEMBL7549285 1.00 FASN (0.46) FASNTACR3BACE1CTSDKMT2A
SCHEMBL13081345 0.91 TACR3 (0.43) FASNTACR3KMT2AALDH1A1OPRD1
SCHEMBL7601383 0.89 EPHX1 (0.49) FASNBACE1CTSDKMT2AMEN1
SCHEMBL13054310 0.89 EPHX1 (0.49) FASNBACE1CTSDKMT2AMEN1
SCHEMBL12173774 0.89 FASN (0.47) FASNBACE1CTSDEPHX1EPHX2
SCHEMBL8199131 0.89 FASN (0.47) FASNBACE1CTSDEPHX1EPHX2
SCHEMBL2969188 0.89 FASN (0.47) FASNBACE1CTSDEPHX1EPHX2
SCHEMBL2969191 0.89 FASN (0.47) FASNBACE1CTSDEPHX1EPHX2

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 3045/4885TACR3 1677/4885BACE1 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.