SCHEMBL13054894

SCHEMBL13054894

CN1C(=N)N[C@](C)(c2cccc(Cl)c2)[C@H](c2ccc(C(C)(F)F)cc2)C1=O

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.32
CTSD P07339 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
CCR6 P51684 3/20 0.31
KCNH2 Q12809 1/20 0.31
HTT P42858 1/20 0.31
TP53 P04637 1/20 0.30
MDM2 Q00987 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
SCHEMBL7552143 1.00 BACE1 (0.32) BACE1CTSDBACE2CCR6KCNH2
SCHEMBL13054321 0.94 MEN1 (0.34) BACE1CTSDBACE2CCR6KCNH2
SCHEMBL7573083 0.94 MEN1 (0.34) BACE1CTSDBACE2CCR6KCNH2
SCHEMBL7558357 0.90 AR (0.36) BACE1HTT
SCHEMBL13054707 0.90 BACE1 (0.31) BACE1
SCHEMBL7559610 0.90 P2RX7 (0.33) BACE1
SCHEMBL7576845 0.90 MEN1 (0.31)
SCHEMBL12173954 0.90 MGLL (0.30)
SCHEMBL13054215 0.90 P2RX7 (0.33) BACE1
SCHEMBL7548390 0.90 MEN1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 8/4885CTSD 13/4885BACE2 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.