SCHEMBL3172199

SCHEMBL3172199

CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CCCc2ccccc21

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.79
CTSD P07339 17/20 0.79

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
SCHEMBL3502673 1.00 BACE1 (0.79) BACE1CTSD
SCHEMBL5713785 1.00 BACE1 (0.79) BACE1CTSD
SCHEMBL3502670 1.00 BACE1 (0.79) BACE1CTSD
SCHEMBL3172210 1.00 BACE1 (0.79) BACE1CTSD
SCHEMBL3353676 0.89 BACE1 (0.69) BACE1CTSD
SCHEMBL3162383 0.88 BACE1 (1.00) BACE1CTSD
SCHEMBL3171896 0.88 BACE1 (1.00) BACE1CTSD
SCHEMBL5714224 0.88 BACE1 (1.00) BACE1CTSD
SCHEMBL3162373 0.88 BACE1 (1.00) BACE1CTSD
SCHEMBL3171904 0.88 BACE1 (1.00) BACE1CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100145056-A1 ACETYL 2-HYDROXY-1,3-DIAMINOALKANES JOHN VARGHESE 2010-06-10 US claimed
US-7645780-B2 Acetyl 2-hydroxy-1, 3-diaminoalkanes ELAN PHARMACEUTICALS, INC. (US) 2010-01-12 US claimed
US-20070293483-A1 Acetyl 2-hydroxy-1, 3-diaminoalkanes ELAN PHARMACEUTICALS, INC. 2007-12-20 US claimed
US-20040180939-A1 Acetyl 2-hydroxy-1, 3-diaminoalkanes ELAN PHARMACEUTICALS INC. 2004-09-16 US claimed
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives PHARMACIA & UPJOHN COMPANY 2004-09-02 US claimed
US-20100145056-A1 ACETYL 2-HYDROXY-1,3-DIAMINOALKANES JOHN VARGHESE 2010-06-10 US disclosed
US-7645780-B2 Acetyl 2-hydroxy-1, 3-diaminoalkanes ELAN PHARMACEUTICALS, INC. (US) 2010-01-12 US disclosed
US-7544717-B2 2-amino- and 2-thio- substituted 1,3-diaminopropanes ELAN PHARMACEUTICALS, INC. (US) 2009-06-09 US disclosed
US-20070293483-A1 Acetyl 2-hydroxy-1, 3-diaminoalkanes ELAN PHARMACEUTICALS, INC. 2007-12-20 US disclosed
US-7244725-B2 Acetyl 2-hydroxy-1, 3-diaminoalkanes ELAN PHARMACEUTICALS, INC. (US) 2007-07-17 US disclosed
US-20050267199-A1 2-Amino- and 2-thio- substituted 1,3-diaminopropanes ELAN PHARMACEUTICALS, INC. 2005-12-01 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 (5 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-20100145056-A1 ACETYL 2-HYDROXY-1,3-DIAMINOALKANES BACE1, BACE2, APP BACE1 1/4885CTSD 185/4885
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives BACE1, BACE2, PSEN1 BACE1 1/4885CTSD 249/4885
US-20040180939-A1 Acetyl 2-hydroxy-1, 3-diaminoalkanes BACE1, BACE2, APP BACE1 1/4885CTSD 107/4885
US-20050267199-A1 2-Amino- and 2-thio- substituted 1,3-diaminopropanes BACE1, APP, BACE2 BACE1 1/4885CTSD 311/4885
US-20070293483-A1 Acetyl 2-hydroxy-1, 3-diaminoalkanes BACE1, BACE2, APP BACE1 1/4885CTSD 185/4885

“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.