SCHEMBL968580

SCHEMBL968580

CC(C)(C)N(C(=O)O)C1=NC2(c3cc(-c4cncnc4)ccc3F)COCC2CS1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.44
BACE2 Q9Y5Z0 7/20 0.43
KCNH2 Q12809 3/20 0.34
CYP2D6 P10635 2/20 0.33

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
SCHEMBL970151 0.86 BACE1 (0.36) BACE1BACE2
SCHEMBL2107142 0.85 BACE1 (0.47) BACE1BACE2KCNH2CYP2D6
SCHEMBL2118025 0.85 BACE1 (0.47) BACE1BACE2KCNH2CYP2D6
SCHEMBL2116359 0.82 BACE1 (0.41) BACE1BACE2KCNH2CYP2D6
SCHEMBL2116357 0.82 BACE1 (0.41) BACE1BACE2KCNH2CYP2D6
SCHEMBL2108476 0.82 BACE1 (0.41) BACE1BACE2KCNH2CYP2D6
SCHEMBL12851657 0.80 BACE1 (0.52) BACE1BACE2
SCHEMBL14299104 0.80 BACE1 (0.52) BACE1BACE2
SCHEMBL12694666 0.80 BACE1 (0.49) BACE1BACE2KCNH2CYP2D6
SCHEMBL970385 0.79 BACE1 (0.72) BACE1BACE2KCNH2CYP2D6

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-20110009395-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2011-01-13 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-20110009395-A1 BACE INHIBITORS BACE1, BACE2, APP BACE1 1/4885BACE2 2/4885KCNH2 3088/4885

“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.