SCHEMBL4549249

SCHEMBL4549249

CC#Cc1cncc(-c2cc([C@]3(C)CC(=O)N(C)C(=N)N3)n(C)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 18/20 0.48
CTSD P07339 2/20 0.37
BACE2 Q9Y5Z0 3/20 0.35
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
CYP11B2 P19099 1/20 0.31
APP P05067 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
SCHEMBL10187480 0.87 CYP11B2 (0.42) BACE1BACE2CYP11B2
SCHEMBL4549169 0.86 BACE1 (0.39) BACE1CTSDBACE2
SCHEMBL7581884 0.83 BACE1 (0.35) BACE1CTSD
SCHEMBL4549175 0.82 BACE1 (0.46) BACE1CTSDBACE2PRMT5WDR77
SCHEMBL4549145 0.82 BACE1 (0.64) BACE1CTSD
SCHEMBL2955398 0.81 BACE1 (0.40) BACE1CTSD
SCHEMBL2955402 0.81 BACE1 (0.40) BACE1CTSD
SCHEMBL7553294 0.79 BACE1 (0.64) BACE1CTSDBACE2PRMT5WDR77
SCHEMBL4549143 0.79 BACE1 (0.48) BACE1CTSDBACE2PRMT5WDR77
SCHEMBL4549197 0.79 BACE1 (0.50) BACE1CTSDBACE2PRMT5WDR77

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-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

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-20120232064-A1 ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, BACE1 BACE1 3/4885CTSD 144/4885BACE2 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.