SCHEMBL7547451

SCHEMBL7547451

CN1C(=O)C[C@@](C)(c2cc(-c3ccccc3)cs2)NC1=O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 15/20 0.43
HSD17B2 P37059 1/20 0.38
TDP2 O95551 1/20 0.34
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
RXFP1 Q9HBX9 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
SCHEMBL8191277 0.89 BACE1 (0.41) BACE1HSD17B2TDP2DDB1CRBN
SCHEMBL7541964 0.78 BACE1 (0.43) BACE1
SCHEMBL8213179 0.77 BACE1 (0.45) BACE1
SCHEMBL14105353 0.77 CYP19A1 (0.40) BACE1
SCHEMBL7573583 0.77 BACE1 (0.43) BACE1HSD17B2TDP2
SCHEMBL7534807 0.77 BACE1 (0.43) BACE1
SCHEMBL7539823 0.77 BACE1 (0.43) BACE1
SCHEMBL7599897 0.77 BACE1 (0.43) BACE1TDP2
SCHEMBL2956310 0.76 BACE1 (0.46) BACE1
SCHEMBL7541228 0.76 BACE1 (0.39) BACE1

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-8183252-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-22 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

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 8/4885HSD17B2 2366/4885TDP2 1054/4885

“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.