SCHEMBL8364910

SCHEMBL8364910

COc1cccc(CN(C[C@@H](O)[C@H](Cc2cccc(Br)c2)NC(=O)OCc2ccccc2)C(=O)OC(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.49
PSEN1 P49768 10/20 0.48
PSEN2 P49810 10/20 0.48
APH1B Q8WW43 10/20 0.48
NCSTN Q92542 10/20 0.48
APH1A Q96BI3 10/20 0.48
PSENEN Q9NZ42 10/20 0.48
CTSB P07858 1/20 0.48
KLK5 Q9Y337 2/20 0.43
CTSD P07339 1/20 0.42
PSMB11 A5LHX3 1/20 0.41
PSMA7 O14818 1/20 0.41
PSMB1 P20618 1/20 0.41
PSMA1 P25786 1/20 0.41
PSMA2 P25787 1/20 0.41
PSMA3 P25788 1/20 0.41
PSMA4 P25789 1/20 0.41
PSMB8 P28062 1/20 0.41
PSMB9 P28065 1/20 0.41
PSMA5 P28066 1/20 0.41

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
SCHEMBL14201555 0.94 CTSB (0.54) BACE1PSEN1PSEN2APH1BNCSTN
SCHEMBL5121516 0.90 CTSB (0.54) BACE1PSEN1PSEN2APH1BNCSTN
SCHEMBL3869800 0.87 PSEN1 (0.53) BACE1PSEN1PSEN2APH1BNCSTN
SCHEMBL3869797 0.87 PSEN1 (0.53) BACE1PSEN1PSEN2APH1BNCSTN
SCHEMBL5209020 0.87 PSEN1 (0.53) BACE1PSEN1PSEN2APH1BNCSTN
SCHEMBL3877669 0.87 PSEN1 (0.58) BACE1PSEN1PSEN2APH1BNCSTN
SCHEMBL3877670 0.87 PSEN1 (0.58) BACE1PSEN1PSEN2APH1BNCSTN
SCHEMBL5446725 0.87 PSEN1 (0.58) BACE1PSEN1PSEN2APH1BNCSTN
SCHEMBL8365430 0.86 BACE1 (0.47) BACE1PSEN1PSEN2APH1BNCSTN
SCHEMBL4799325 0.83 PSEN1 (0.52) BACE1PSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080096942-A1 Substituted Hydroxyethylamines ELAN PHARMACEUTICALS, INC. 2008-04-24 US disclosed
US-7312360-B2 Substituted hydroxyethylamines ELAN PHARMACEUTICALS, INC. (US) 2007-12-25 US disclosed
WO-2003050073-A1 SUBSTITUTED HYDROXYETHYLAMINES ELAN PHARMACEUTICALS, INC. (US) 2003-06-19 WO 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-20080096942-A1 Substituted Hydroxyethylamines BACE1, BACE2, MME BACE1 1/4885PSEN1 8/4885PSEN2 7/4885

“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.