SCHEMBL5646004

SCHEMBL5646004

COC(=O)CCC(=O)N[C@H](CCC(=O)N1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CNCc1cccc(OC)c1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 15/20 0.63
CTSD P07339 14/20 0.57
BCHE P06276 1/20 0.55
BACE2 Q9Y5Z0 1/20 0.50

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
SCHEMBL5650681 1.00 BACE1 (0.63) BACE1CTSDBCHEBACE2
SCHEMBL5645999 1.00 BACE1 (0.63) BACE1CTSDBCHEBACE2
SCHEMBL5650679 1.00 BACE1 (0.63) BACE1CTSDBCHEBACE2
Hydrochloric Acid SCHEMBL3350916 0.99 BACE1 (0.62) BACE1CTSDBCHEBACE2
Hydrochloric Acid SCHEMBL3350920 0.99 BACE1 (0.62) BACE1CTSDBCHEBACE2
Hydrochloric Acid SCHEMBL3350320 0.99 BACE1 (0.62) BACE1CTSDBCHEBACE2
Hydrochloric Acid SCHEMBL3350315 0.99 BACE1 (0.62) BACE1CTSDBCHEBACE2
SCHEMBL5645286 0.96 BACE1 (0.65) BACE1CTSDBCHEBACE2
SCHEMBL6702709 0.96 BACE1 (0.65) BACE1CTSDBCHEBACE2
SCHEMBL5645290 0.96 BACE1 (0.65) BACE1CTSDBCHEBACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070299263-A1 Hydroxy Alkyl Amines Elan Pharmaceuticals, Inc. and Pharmacia & Upjohn Company 2007-12-27 US claimed
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives PHARMACIA & UPJOHN COMPANY 2004-09-02 US claimed
US-20030166717-A1 Hydroxy alkyl amines FRESKOS JOHN (US) 2003-09-04 US claimed
US-20070299263-A1 Hydroxy Alkyl Amines Elan Pharmaceuticals, Inc. and Pharmacia & Upjohn Company 2007-12-27 US disclosed
US-7144897-B2 Hydroxy alkyl amines Elan Oharmaceuticals, Inc. (US) 2006-12-05 US disclosed
US-20030166717-A1 Hydroxy alkyl amines FRESKOS JOHN (US) 2003-09-04 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 (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-20030166717-A1 Hydroxy alkyl amines PSEN1, MAOA, PSEN2 BACE1 47/4885CTSD 3148/4885BCHE 37/4885
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives BACE1, BACE2, PSEN1 BACE1 1/4885CTSD 249/4885BCHE 35/4885
US-20070299263-A1 Hydroxy Alkyl Amines MAOA, PSEN2, PSEN1 BACE1 67/4885CTSD 2851/4885BCHE 20/4885

“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.