SCHEMBL3490794

SCHEMBL3490794

O=C(CCc1ccccc1)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)CNCc1ccco1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 14/20 0.48
CTSD P07339 3/20 0.48
BACE2 Q9Y5Z0 1/20 0.46
ALDH1A1 P00352 3/20 0.46
SLC6A11 P48066 1/20 0.46
RAB9A P51151 1/20 0.46
BCHE P06276 1/20 0.43
PAX8 Q06710 1/20 0.42

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
SCHEMBL3490791 1.00 BACE1 (0.48) BACE1CTSDBACE2ALDH1A1SLC6A11
SCHEMBL3490312 0.88 BACE1 (0.58) BACE1CTSDBACE2SLC6A11BCHE
SCHEMBL3490307 0.88 BACE1 (0.58) BACE1CTSDBACE2SLC6A11BCHE
SCHEMBL5441031 0.87 BACE1 (0.52) BACE1CTSDBACE2
SCHEMBL5441035 0.87 BACE1 (0.52) BACE1CTSDBACE2
SCHEMBL4393781 0.82 BACE1 (0.41) BACE1CTSDBACE2ALDH1A1SLC6A11
SCHEMBL4400657 0.82 BACE1 (0.41) BACE1CTSDBACE2ALDH1A1SLC6A11
SCHEMBL3348442 0.82 BACE1 (0.60) BACE1CTSDBACE2BCHE
SCHEMBL3348451 0.82 BACE1 (0.60) BACE1CTSDBACE2BCHE
SCHEMBL3490015 0.81 HPGD (0.51) BACE1CTSDBACE2SLC6A11BCHE

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 7 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-20060194817-A1 N- (3-amino-2-hydroxy-propyl) substituted alkylamide compounds ELAN PHARMACEUTICALS, INC. 2006-08-31 US claimed
EP-1409450-A1 N-(3-AMINO-2-HYDROXY-PROPYL) SUBSTITUTED ALKYLAMIDE COMPOUNDS Elan Pharmaceuticals, Inc. (US) 2004-04-21 EP claimed
US-20030109559-A1 N-(3-amino-2-hydroxy-propyl)substituted alkylamide compounds PHARMACIA & UPJOHN COMPANY 2003-06-12 US claimed
WO-2003006423-A1 N-(3-AMINO-2-HYDROXY-PROPYL) SUBSTITUTED ALKYLAMIDE COMPOUNDS ELAN PHARMACEUTICALS, INC. (US) 2003-01-23 WO 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 (3 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 1/4885CTSD 231/4885BACE2 3/4885
US-20060194817-A1 N- (3-amino-2-hydroxy-propyl) substituted alkylamide compounds BACE1, APP, BACE2 BACE1 1/4885CTSD 282/4885BACE2 3/4885
US-20100048590-A1 N-(3-AMINO-2-HYDROXY-PROPYL) SUBSTITUTED ALKYLAMIDE COMPOUNDS BACE1, APP, BACE2 BACE1 1/4885CTSD 282/4885BACE2 3/4885

“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.