SCHEMBL6878650

SCHEMBL6878650

NC1=N[C@@]2(c3cccc(NC(=O)c4ccc(F)cn4)c3)COC[C@H]2CS1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.75
BACE2 Q9Y5Z0 5/20 0.75
CTSD P07339 1/20 0.53
KCNH2 Q12809 1/20 0.53

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 SCHEMBL971474 0.99 BACE1 (0.74) BACE1BACE2CTSDKCNH2
Hydrochloric Acid SCHEMBL968439 0.99 BACE1 (0.74) BACE1BACE2CTSDKCNH2
SCHEMBL12851703 0.90 BACE1 (0.78) BACE1BACE2KCNH2
SCHEMBL966237 0.90 BACE1 (0.74) BACE1BACE2CTSDKCNH2
Hydrochloric Acid SCHEMBL968228 0.90 BACE1 (0.73) BACE1BACE2CTSDKCNH2
SCHEMBL18192881 0.87 BACE1 (0.58) BACE1BACE2KCNH2
SCHEMBL18192863 0.87 BACE1 (0.58) BACE1BACE2KCNH2
Ly-2886721 SCHEMBL971344 0.86 BACE1 (1.00) BACE1BACE2CTSDKCNH2
Ly-2886721 SCHEMBL966802 0.86 BACE1 (1.00) BACE1BACE2CTSDKCNH2
Ly-2886721 SCHEMBL30477100 0.86 BACE1 (1.00) BACE1BACE2CTSDKCNH2

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 2/4885CTSD 28/4885
US-20110009395-A1 BACE INHIBITORS BACE1, BACE2, APP BACE1 1/4885BACE2 2/4885CTSD 28/4885

“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.