SCHEMBL3178451

SCHEMBL3178451

CC(C)(C)OC(=O)NC1=N[C@](C)(c2cc(-c3cncnc3)c(F)cc2F)CCS1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.59
BACE2 Q9Y5Z0 15/20 0.59
CTSD P07339 2/20 0.59
KCNH2 Q12809 5/20 0.36
CYP2D6 P10635 2/20 0.35

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
SCHEMBL3178464 1.00 BACE1 (0.59) BACE1BACE2CTSDKCNH2CYP2D6
SCHEMBL17004534 0.91 BACE1 (0.48) BACE1BACE2CTSDKCNH2
SCHEMBL17004532 0.91 BACE1 (0.48) BACE1BACE2CTSDKCNH2
SCHEMBL17004540 0.87 BACE1 (0.44) BACE1BACE2CTSD
SCHEMBL17004537 0.87 BACE1 (0.44) BACE1BACE2CTSD
SCHEMBL17004575 0.86 BACE1 (0.42) BACE1BACE2CTSD
SCHEMBL17004577 0.86 BACE1 (0.42) BACE1BACE2CTSD
SCHEMBL12350318 0.85 BACE1 (0.44) BACE1BACE2CTSD
SCHEMBL18212254 0.84 BACE1 (0.40) BACE1BACE2CTSDKCNH2
SCHEMBL3191096 0.83 BACE1 (0.40) BACE1BACE2CTSDKCNH2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2297120-B1 AMINODIHYDROTHIAZINE DERIVATIVES AS BACE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE LILLY CO ELI (US) 2015-08-19 EP disclosed
EP-2297120-B1 AMINODIHYDROTHIAZINE DERIVATIVES AS BACE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE LILLY CO ELI (US) 2015-08-19 EP disclosed
US-7648983-B2 BACE inhibitors ELI LILLY AND COMPANY (US) 2010-01-19 US disclosed
US-7648983-B2 BACE inhibitors ELI LILLY AND COMPANY (US) 2010-01-19 US disclosed
US-20090275566-A1 BACE INHIBITORS ELI LILLY AND COMPANY 2009-11-05 US disclosed
US-20090275566-A1 BACE INHIBITORS ELI LILLY AND COMPANY 2009-11-05 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-20090275566-A1 BACE INHIBITORS BACE1, BACE2, APP BACE1 1/4885BACE2 2/4885CTSD 26/4885

“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.