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SCHEMBL8213693

SCHEMBL8213693

CN1C(=N)N[C@](C)(c2cccc(C#N)c2)[C@H](c2ccc3ccccc3c2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 7/20 0.38
▸ ALDH1A1 P00352 1/20 0.33
▸ BACE2 Q9Y5Z0 2/20 0.32
▸ GRIA3 P42263 1/20 0.32
▸ GRIA4 P48058 1/20 0.32
▸ PGR P06401 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ NSD2 O96028 1/20 0.31
▸ CHRM3 P20309 1/20 0.31
▸ PLK1 P53350 1/20 0.31
▸ TNKS O95271 3/20 0.31
▸ POLB P06746 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ CTSD P07339 1/20 0.31
▸ CYP19A1 P11511 1/20 0.31

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
SCHEMBL7557608 1.00 BACE1 (0.38) BACE1ALDH1A1BACE2GRIA3GRIA4
SCHEMBL7557016 0.90 BACE1 (0.39) BACE1ALDH1A1BACE2PGRNSD2
SCHEMBL13054247 0.90 BACE1 (0.39) BACE1ALDH1A1BACE2PGRNSD2
SCHEMBL7574530 0.89 BACE1 (0.39) BACE1ALDH1A1BACE2PGRNSD2
SCHEMBL13054721 0.89 BACE1 (0.39) BACE1ALDH1A1BACE2PGRNSD2
SCHEMBL8210363 0.87 BACE1 (0.41) BACE1ALDH1A1BACE2GRIA4PGR
SCHEMBL13054201 0.87 BACE1 (0.41) BACE1ALDH1A1BACE2GRIA4PGR
SCHEMBL7570109 0.87 BACE1 (0.41) BACE1ALDH1A1BACE2GRIA4PGR
SCHEMBL8211523 0.87 BACE1 (0.39) BACE1ALDH1A1BACE2PGR
SCHEMBL7555868 0.87 BACE1 (0.39) BACE1ALDH1A1BACE2PGR

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-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-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 (2 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 BACE1 8/4885ALDH1A1 4505/4885BACE2 30/4885
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 BACE1 41/4885ALDH1A1 4571/4885BACE2 48/4885

“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.