SCHEMBL4556670

SCHEMBL4556670

Cc1cccc(-c2cc([C@]3(C)CC(=O)N(C)C(=N)N3)nn2C)c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.34
DDB1 Q16531 2/20 0.33
CRBN Q96SW2 2/20 0.33
TDP2 O95551 1/20 0.33
NISCH Q9Y2I1 1/20 0.32
BACE1 P56817 6/20 0.32
PARP10 Q53GL7 1/20 0.31
PARP11 Q9NR21 1/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
NOTUM Q6P988 1/20 0.31
MAPK14 Q16539 1/20 0.31
MAPT P10636 2/20 0.30
HSD17B10 Q99714 1/20 0.30
L3MBTL1 Q9Y468 1/20 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
SCHEMBL8414657 0.88 BACE1 (0.35) DDB1CRBNBACE1
SCHEMBL7567315 0.88 DDB1 (0.33) PGRDDB1CRBNTDP2BACE1
SCHEMBL4549174 0.87 BACE1 (0.37) DDB1CRBNBACE1
SCHEMBL2966067 0.86 BACE1 (0.37) DDB1CRBNNISCHBACE1NOTUM
SCHEMBL7577744 0.86 BACE1 (0.47) PGRBACE1
SCHEMBL2966065 0.86 BACE1 (0.37) DDB1CRBNNISCHBACE1NOTUM
SCHEMBL4549147 0.85 BACE1 (0.38) PGRDDB1CRBNBACE1
SCHEMBL4556676 0.83 PGR (0.36) PGRDDB1CRBNTDP2BACE1
SCHEMBL10186862 0.83 BACE1 (0.36) PGRNISCHBACE1PARP10PARP11
SCHEMBL8414505 0.82 XDH (0.35) PGRBACE1MAPK14MAPT

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 2393/4885DDB1 2866/4885CRBN 3607/4885
US-20070287692-A1 ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, BACE1 PGR 2393/4885DDB1 2866/4885CRBN 3607/4885

“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.