SCHEMBL13055201

SCHEMBL13055201

CN1C(=N)N[C@](C)(c2cc(-c3cncc(F)c3)cs2)[C@H](c2ccc(C3CC3)cc2)C1=O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 9/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
CYP3A4 P08684 2/20 0.33
CTSD P07339 2/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
DYRK1A Q13627 3/20 0.31
GSK3B P49841 1/20 0.30
GPR55 Q9Y2T6 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
SCHEMBL7557943 1.00 BACE1 (0.34) BACE1BACE2CYP3A4CTSDCYP11B1
SCHEMBL7569997 0.90 BACE1 (0.35) BACE1BACE2CYP11B1CYP11B2
SCHEMBL7570297 0.90 BACE1 (0.34) BACE1BACE2CYP3A4CTSDDYRK1A
SCHEMBL13081366 0.90 BACE1 (0.33) BACE1
SCHEMBL8213822 0.90 BACE1 (0.34) BACE1BACE2CYP3A4CTSDDYRK1A
SCHEMBL13055291 0.90 BACE1 (0.34) BACE1BACE2CYP3A4CTSDDYRK1A
SCHEMBL13054355 0.89 ZAP70 (0.31) BACE1BACE2CTSD
SCHEMBL7548774 0.89 ZAP70 (0.31) BACE1BACE2CTSD
SCHEMBL13081561 0.88 BACE1 (0.34) BACE1BACE2CYP3A4CTSDDYRK1A
SCHEMBL13081562 0.88 BACE1 (0.34) BACE1BACE2CYP3A4CTSDDYRK1A

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 8/4885BACE2 30/4885CYP3A4 853/4885

“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.