SCHEMBL4549235

SCHEMBL4549235

CC#Cc1cccc(-c2cncc([C@]3(C)CC(=O)N(C)C(=N)N3)n2)c1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 4/20 0.40
BACE1 P56817 16/20 0.40
BACE2 Q9Y5Z0 1/20 0.35
CTSD P07339 2/20 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
SCHEMBL4549151 0.90 MAP3K14 (0.37) MAP3K14BACE1CTSD
SCHEMBL7548366 0.90 BACE1 (0.46) MAP3K14BACE1BACE2CTSD
SCHEMBL8414505 0.88 XDH (0.35) MAP3K14BACE1BACE2
SCHEMBL7571629 0.85 PGR (0.36) BACE1CTSD
SCHEMBL4549174 0.84 BACE1 (0.37) BACE1BACE2CTSD
SCHEMBL7550334 0.83 BACE1 (0.46) BACE1BACE2CTSD
SCHEMBL4549233 0.83 BACE1 (0.46) BACE1BACE2CTSD
SCHEMBL7573295 0.82 BACE1 (0.43) BACE1BACE2CTSD
SCHEMBL7559922 0.82 BACE1 (0.36) BACE1
SCHEMBL4549169 0.82 BACE1 (0.39) BACE1BACE2CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629155-B2 Aspartyl protease inhibitors MERCK SHARP & DOHME, CORP. (US) 2014-01-14 US disclosed
US-8629155-B2 Aspartyl protease inhibitors MERCK SHARP & DOHME, CORP. (US) 2014-01-14 US disclosed
US-20120232064-A1 ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION (US) 2012-09-13 US disclosed
US-8168641-B2 Aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-01 US disclosed
US-20070287692-A1 ASPARTYL PROTEASE INHIBITORS MERCK SHARP & DOHME LLC 2007-12-13 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 (2 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-20120232064-A1 ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, BACE1 MAP3K14 2607/4885BACE1 3/4885BACE2 16/4885
US-20070287692-A1 ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, BACE1 MAP3K14 2607/4885BACE1 3/4885BACE2 16/4885

“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.