SCHEMBL5346124

SCHEMBL5346124

CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCCc2ccccc2Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 16/20 0.67
CTSD P07339 10/20 0.59
BACE2 Q9Y5Z0 2/20 0.55

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
SCHEMBL3351067 0.93 BACE1 (0.64) BACE1CTSDBACE2
SCHEMBL3351489 0.92 BACE1 (0.74) BACE1CTSDBACE2
SCHEMBL5348231 0.90 BACE1 (0.75) BACE1CTSDBACE2
SCHEMBL3347556 0.90 BACE1 (0.67) BACE1CTSDBACE2
SCHEMBL3349928 0.89 BACE1 (0.68) BACE1CTSDBACE2
SCHEMBL3356778 0.89 BACE1 (0.68) BACE1CTSDBACE2
SCHEMBL3350581 0.88 BACE1 (0.72) BACE1CTSDBACE2
SCHEMBL3348727 0.88 BACE1 (0.73) BACE1CTSDBACE2
SCHEMBL3354727 0.87 BACE1 (0.72) BACE1CTSDBACE2
SCHEMBL5354272 0.87 BACE1 (0.75) BACE1CTSDBACE2

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-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-20020128255-A1 Compounds to treat alzheimer's disease PHARMACIA & UPJOHN COMPANY 2002-09-12 US claimed
US-7214715-B2 Compounds to treat Alzheimer's disease PHARMACIA & UPJOHN (US) 2007-05-08 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 (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-20020128255-A1 Compounds to treat alzheimer's disease PSEN2, PSEN1, APP BACE1 4/4885CTSD 2080/4885BACE2 9/4885
US-20070213407-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, CHAT BACE1 7/4885CTSD 1351/4885BACE2 11/4885

“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.