SCHEMBL8436765

SCHEMBL8436765

Cc1cccc(-c2coc([C@]3(C)CC(=O)N(C)C(=N)N3)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.36
ENPP3 O14638 1/20 0.33
FYN P06241 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
NR3C2 P08235 1/20 0.31
PARP10 Q53GL7 1/20 0.31
PARP11 Q9NR21 1/20 0.31
NOTUM Q6P988 1/20 0.31
MAPT P10636 2/20 0.30
HSD17B10 Q99714 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
BACE1 P56817 6/20 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
SCHEMBL4549229 0.87 BACE1 (0.35) BACE1
SCHEMBL7570372 0.86 BACE1 (0.45) PGRBACE1
SCHEMBL7561458 0.85 BACE1 (0.46) PGRBACE1
SCHEMBL4559993 0.83 PGR (0.40) PGRFYNCLK4DYRK1BPARP10
SCHEMBL7541964 0.78 BACE1 (0.43) PGRFYNCLK4DYRK1BPARP10
SCHEMBL10186862 0.78 BACE1 (0.36) PGRFYNCLK4DYRK1BPARP10
SCHEMBL7548914 0.78 PGR (0.41) PGRBACE1
SCHEMBL8433906 0.77 BACE1 (0.42) PGRBACE1
SCHEMBL4556923 0.77 GRM5 (0.35) PGRNOTUMMAPTHSD17B10
SCHEMBL7572197 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120232064-A1 ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION (US) 2012-09-13 US disclosed
US-8168641-B2 Aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-01 US disclosed
US-20070287692-A1 ASPARTYL PROTEASE INHIBITORS MERCK SHARP & DOHME LLC 2007-12-13 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-20120232064-A1 ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, BACE1 PGR 2393/4885ENPP3 3030/4885FYN 3102/4885
US-20070287692-A1 ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, BACE1 PGR 2393/4885ENPP3 3030/4885FYN 3102/4885

“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.