SCHEMBL13054201

SCHEMBL13054201

CN1C(=N)N[C@](C)(c2cccc(C#N)c2)[C@H](c2ccc(-c3ccccc3)cc2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 7/20 0.41
PGR P06401 3/20 0.39
BACE2 Q9Y5Z0 2/20 0.37
PAX8 Q06710 2/20 0.36
ALDH1A1 P00352 1/20 0.36
KDM4E B2RXH2 1/20 0.35
CTSD P07339 2/20 0.35
CHEK1 O14757 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIA4 P48058 1/20 0.34
MCHR1 Q99705 1/20 0.34
CHRM3 P20309 1/20 0.33
STK10 O94804 1/20 0.33
SLK Q9H2G2 1/20 0.33

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
SCHEMBL7570109 1.00 BACE1 (0.41) BACE1PGRBACE2PAX8ALDH1A1
SCHEMBL8210363 1.00 BACE1 (0.41) BACE1PGRBACE2PAX8ALDH1A1
SCHEMBL7574530 0.92 BACE1 (0.39) BACE1PGRBACE2ALDH1A1CTSD
SCHEMBL13054721 0.92 BACE1 (0.39) BACE1PGRBACE2ALDH1A1CTSD
SCHEMBL7555868 0.89 BACE1 (0.39) BACE1PGRBACE2ALDH1A1GRIA2
SCHEMBL8211523 0.89 BACE1 (0.39) BACE1PGRBACE2ALDH1A1GRIA2
SCHEMBL8414498 0.89 BACE1 (0.37) BACE1PGRBACE2ALDH1A1CTSD
SCHEMBL7564419 0.89 BACE1 (0.37) BACE1PGRBACE2ALDH1A1CTSD
SCHEMBL13054247 0.89 BACE1 (0.39) BACE1PGRBACE2ALDH1A1CTSD
SCHEMBL7557016 0.89 BACE1 (0.39) BACE1PGRBACE2ALDH1A1CTSD

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 2 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

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-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 BACE1 8/4885PGR 1172/4885BACE2 30/4885

“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.