SCHEMBL6875113

SCHEMBL6875113

NC1=N[C@@]2(c3cccc(-c4cncc(F)c4)c3)C[C@H](O)C[C@H]2CS1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.45
BACE2 Q9Y5Z0 1/20 0.45
KCNH2 Q12809 2/20 0.40

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
Hydrochloric Acid SCHEMBL966133 0.99 BACE1 (0.44) BACE1BACE2KCNH2
SCHEMBL6877607 0.88 BACE1 (0.44) BACE1BACE2KCNH2
Hydrochloric Acid SCHEMBL968226 0.87 BACE1 (0.43) BACE1BACE2KCNH2
SCHEMBL6876377 0.86 BACE1 (0.45) BACE1BACE2KCNH2
SCHEMBL966677 0.86 BACE1 (0.45) BACE1BACE2KCNH2
SCHEMBL12851730 0.85 BACE1 (0.44) BACE1BACE2KCNH2
Hydrochloric Acid SCHEMBL1011950 0.85 BACE1 (0.44) BACE1BACE2KCNH2
Hydrochloric Acid SCHEMBL1011951 0.85 BACE1 (0.44) BACE1BACE2KCNH2
SCHEMBL18192895 0.81 BACE1 (0.41) BACE1BACE2KCNH2
SCHEMBL14299130 0.80 BACE1 (0.53) BACE1BACE2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2451793-B1 BACE INHIBITORS LILLY CO ELI (US) 2016-11-02 EP disclosed
US-20120323001-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2012-12-20 US disclosed
US-20120323001-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2012-12-20 US disclosed
US-8278441-B2 BACE inhibitors ELI LILLY AND COMPANY (US) 2012-10-02 US disclosed
US-8278441-B2 BACE inhibitors ELI LILLY AND COMPANY (US) 2012-10-02 US disclosed
US-20110009395-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2011-01-13 US disclosed
US-20110009395-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2011-01-13 US disclosed
WO-2011005738-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2011-01-13 WO 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-20120323001-A1 BACE INHIBITORS BACE1, BACE2, APP BACE1 1/4885BACE2 2/4885KCNH2 3088/4885
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.