Sugi Predict

Sugi Predict / Compounds / SCHEMBL7605162

SCHEMBL7605162

SCHEMBL7605162

CN1C(=N)N[C@](C)(C2CCCN(C(=O)c3ccccc3)C2)CC1=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.40
▸ HPGD P15428 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ ACHE P22303 1/20 0.39
▸ PDE2A O00408 2/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ HSD11B1 P28845 1/20 0.39
▸ RECQL P46063 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ L3MBTL3 Q96JM7 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
SCHEMBL13081566 1.00 ALDH1A1 (0.40) ALDH1A1HPGDLMNAHIF1AACHE
SCHEMBL7555559 0.94 HPGD (0.44) ALDH1A1HPGDLMNAHIF1AHSD11B1
SCHEMBL14105808 0.94 HPGD (0.44) ALDH1A1HPGDLMNAHIF1AHSD11B1
SCHEMBL14105152 0.90 CA12 (0.38) ALDH1A1HPGDLMNAHIF1ARECQL
SCHEMBL13081683 0.89 HPGD (0.46) HPGDHSD11B1L3MBTL1NPC1RAB9A
SCHEMBL13558878 0.88 MGLL (0.38) ALDH1A1KDM4EL3MBTL1MAPTL3MBTL3
SCHEMBL7602928 0.88 ALDH1A1 (0.50) ALDH1A1HSD11B1KDM4EL3MBTL1NPC1
SCHEMBL7574117 0.88 ALDH1A1 (0.50) ALDH1A1HPGDLMNAHIF1APDE2A
SCHEMBL7573371 0.87 PDE2A (0.43) ALDH1A1PDE2APDE3A
SCHEMBL7575378 0.87 ALDH1A1 (0.46) ALDH1A1HPGDRECQLPOLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8183252-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-22 — — US disclosed
US-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 — — 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
WO-2008103351-A2 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION (US) 2008-08-28 — — WO 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 (4 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 ALDH1A1 4505/4885HPGD 2404/4885LMNA 2420/4885
US-20120276118-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS BACE1, PRSS1, TMPRSS11D ALDH1A1 3943/4885HPGD 1752/4885LMNA 1624/4885
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 ALDH1A1 4571/4885HPGD 2908/4885LMNA 1236/4885
US-20120231017-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS BACE1, PRSS1, TMPRSS11D ALDH1A1 3943/4885HPGD 1752/4885LMNA 1624/4885

“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.