SCHEMBL7601371

SCHEMBL7601371

CN1C(=N)N[C@](C)(c2cc(-c3cccc(C#N)c3)ccn2)C(c2ccc(C3CC3)cc2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 17/20 0.39
BACE2 Q9Y5Z0 2/20 0.38
MAP4K1 Q92918 1/20 0.37
PGR P06401 1/20 0.36
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CTSD P07339 4/20 0.35
USP30 Q70CQ3 1/20 0.35
CYP2C9 P11712 1/20 0.34

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
SCHEMBL7571654 1.00 BACE1 (0.39) BACE1BACE2MAP4K1PGRCYP3A4
SCHEMBL12174257 1.00 BACE1 (0.39) BACE1BACE2MAP4K1PGRCYP3A4
SCHEMBL7572262 1.00 BACE1 (0.39) BACE1BACE2MAP4K1PGRCYP3A4
SCHEMBL7570762 0.90 FASN (0.33) BACE1BACE2
SCHEMBL13054382 0.90 FASN (0.33) BACE1BACE2
SCHEMBL7546620 0.89 PGR (0.35) BACE1PGR
SCHEMBL7565868 0.89 PGR (0.35) BACE1PGR
SCHEMBL8205295 0.89 PGR (0.35) BACE1PGR
SCHEMBL8414786 0.88 BACE1 (0.33) BACE1
SCHEMBL8412404 0.88 BACE1 (0.33) 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 2 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-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 30/4885MAP4K1 3921/4885

“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.