SCHEMBL3490902

SCHEMBL3490902

O=C(Cc1ccc(OCC(=O)N2CCCC2)cc1)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)CNCc1cccc(I)c1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.55
BACE2 Q9Y5Z0 2/20 0.48
CTSD P07339 2/20 0.46

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
SCHEMBL3490899 1.00 BACE1 (0.55) BACE1BACE2CTSD
SCHEMBL3490225 0.87 BACE1 (0.59) BACE1BACE2CTSD
SCHEMBL3490228 0.87 BACE1 (0.59) BACE1BACE2CTSD
SCHEMBL3352702 0.85 BACE1 (0.60) BACE1BACE2CTSD
SCHEMBL3352697 0.85 BACE1 (0.60) BACE1BACE2CTSD
SCHEMBL3490258 0.84 BACE1 (0.55) BACE1BACE2CTSD
SCHEMBL3490261 0.84 BACE1 (0.55) BACE1BACE2CTSD
SCHEMBL5359888 0.83 BACE1 (0.61) BACE1BACE2CTSD
SCHEMBL5359883 0.83 BACE1 (0.61) BACE1BACE2CTSD
SCHEMBL3491851 0.83 BACE1 (0.62) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048590-A1 N-(3-AMINO-2-HYDROXY-PROPYL) SUBSTITUTED ALKYLAMIDE COMPOUNDS GAILUNAS ANDREA 2010-02-25 US claimed
EP-1409450-B1 N-(3-AMINO-2-HYDROXY-PROPYL) SUBSTITUTED ALKYLAMIDE COMPOUNDS ELAN PHARM INC (US) 2009-12-09 EP claimed
US-20030109559-A1 N-(3-amino-2-hydroxy-propyl)substituted alkylamide compounds PHARMACIA & UPJOHN COMPANY 2003-06-12 US claimed
EP-1409450-B1 N-(3-AMINO-2-HYDROXY-PROPYL) SUBSTITUTED ALKYLAMIDE COMPOUNDS ELAN PHARM INC (US) 2009-12-09 EP 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-20030109559-A1 N-(3-amino-2-hydroxy-propyl)substituted alkylamide compounds BACE1, APP, BACE2 BACE1 1/4885BACE2 3/4885CTSD 231/4885
US-20100048590-A1 N-(3-AMINO-2-HYDROXY-PROPYL) SUBSTITUTED ALKYLAMIDE COMPOUNDS BACE1, APP, BACE2 BACE1 1/4885BACE2 3/4885CTSD 282/4885

“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.