SCHEMBL3514577

SCHEMBL3514577

CC(C)c1cncc(CNC[C@@H](O)[C@@H](N)Cc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.49
BCHE P06276 6/20 0.48
F2 P00734 2/20 0.42
CTSD P07339 1/20 0.40
ACHE P22303 1/20 0.40
CSNK1E P49674 1/20 0.40
SLC6A11 P48066 1/20 0.39
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38

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
SCHEMBL3939383 0.85 BACE1 (0.65) BACE1BCHEF2CTSD
Hydrochloric Acid SCHEMBL3533305 0.84 BACE1 (0.64) BACE1BCHEF2CTSD
SCHEMBL3511307 0.83 BCHE (0.44) BACE1BCHEF2CSNK1ESLC6A11
SCHEMBL3510321 0.83 BCHE (0.44) BACE1BCHEF2CTSDCSNK1E
SCHEMBL3511401 0.82 BACE1 (0.50) BACE1BCHEF2CTSDOPRD1
SCHEMBL3511403 0.82 BACE1 (0.50) BACE1BCHEF2CTSDOPRD1
SCHEMBL6892858 0.80 CYP1A2 (0.53) BCHE
SCHEMBL3355705 0.80 CYP1A2 (0.53) BCHE
SCHEMBL3353939 0.79 BCHE (0.61) BACE1BCHEF2CSNK1ESLC6A11
SCHEMBL496172 0.79 BCHE (0.61) BACE1BCHEF2CSNK1ESLC6A11

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-8299267-B2 (3-hydroxy-4-amino-butan-2-yl) -3- (2-thiazol-2-yl-pyrrolidine-1-carbonyl) benzamide derivatives and related compounds as beta-secretase inhibitors for treating COMENTIS, INC. (US) 2012-10-30 US disclosed
US-20100286170-A1 (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING COMENTIS, INC 2010-11-11 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-20100286170-A1 (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING BACE1, BACE2, PSEN1 BACE1 1/4885BCHE 11/4885F2 4823/4885

“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.