SCHEMBL4416079

SCHEMBL4416079

CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCCN(C)C)c1

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.75
BACE2 Q9Y5Z0 5/20 0.75
CTSD P07339 3/20 0.72

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
SCHEMBL3347575 0.95 BACE1 (0.73) BACE1BACE2CTSD
SCHEMBL3356397 0.92 BACE1 (0.77) BACE1BACE2CTSD
SCHEMBL5381965 0.92 BACE1 (0.77) BACE1BACE2CTSD
SCHEMBL3351085 0.91 BACE1 (0.73) BACE1BACE2CTSD
SCHEMBL5378652 0.91 BACE1 (0.75) BACE1BACE2CTSD
SCHEMBL3354515 0.91 BACE1 (0.80) BACE1BACE2CTSD
SCHEMBL5384089 0.91 BACE1 (0.72) BACE1BACE2CTSD
SCHEMBL5348502 0.90 BACE1 (0.74) BACE1BACE2CTSD
SCHEMBL5353797 0.90 BACE1 (0.74) BACE1BACE2CTSD
SCHEMBL3350199 0.90 BACE1 (0.74) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070213407-A1 Compounds to treat Alzheimer's disease ELAN PHARMACEUTICALS AND PHARMACIA & UPJOHN COMPANY LLC 2007-09-13 US claimed
US-7214715-B2 Compounds to treat Alzheimer's disease PHARMACIA & UPJOHN (US) 2007-05-08 US claimed
US-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 US claimed
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives PHARMACIA & UPJOHN COMPANY 2004-09-02 US claimed
US-20020128255-A1 Compounds to treat alzheimer's disease PHARMACIA & UPJOHN COMPANY 2002-09-12 US claimed
US-7638646-B2 Processes and intermediates for preparing benzyl epoxides ELAN PHARMACEUTICALS INC. (US) 2009-12-29 US disclosed
US-20030004360-A1 Processes and intermediates for preparing benzyl epoxides PHARMACIA & UPJOHN COMPANY 2003-01-02 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 (4 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-20020128255-A1 Compounds to treat alzheimer's disease PSEN2, PSEN1, APP BACE1 4/4885BACE2 9/4885CTSD 2080/4885
US-20070213407-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, CHAT BACE1 7/4885BACE2 11/4885CTSD 1351/4885
US-20030004360-A1 Processes and intermediates for preparing benzyl epoxides CYP2F1, VKORC1, VKORC1L1 BACE1 617/4885BACE2 1145/4885CTSD 2960/4885
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives BACE1, BACE2, PSEN1 BACE1 1/4885BACE2 2/4885CTSD 249/4885

“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.