SCHEMBL6399393

SCHEMBL6399393

CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2ccc(N(C)C)cc2)c1.CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CN[C@@H](Cc2ccccc2)C(=O)NCC(C)C)c1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.72
BACE2 Q9Y5Z0 8/20 0.72
CTSD P07339 4/20 0.64

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
SCHEMBL3356724 0.92 BACE1 (0.79) BACE1BACE2CTSD
SCHEMBL5360359 0.87 BACE1 (0.83) BACE1BACE2CTSD
SCHEMBL3348990 0.85 BACE1 (1.00) BACE1BACE2CTSD
SCHEMBL3349454 0.85 BACE1 (1.00) BACE1BACE2CTSD
SCHEMBL3420649 0.84 BACE1 (0.74) BACE1BACE2CTSD
SCHEMBL5344791 0.84 BACE1 (0.85) BACE1BACE2CTSD
SCHEMBL5363007 0.84 BACE1 (0.91) BACE1BACE2CTSD
SCHEMBL5352410 0.84 BACE1 (0.85) BACE1BACE2CTSD
SCHEMBL3353859 0.84 BACE1 (0.73) BACE1BACE2CTSD
SCHEMBL3351516 0.84 BACE1 (0.73) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050130936-A1 Processes and intermediates for preparing benzyl epoxides PHARMACIA & UPJOHN COMPANY 2005-06-16 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 (1 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-20050130936-A1 Processes and intermediates for preparing benzyl epoxides CYP2F1, VKORC1, POR BACE1 989/4885BACE2 1245/4885CTSD 2700/4885

“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.