Ly-2886721

Ly-2886721

SCHEMBL966802

NC1=N[C@@]2(c3cc(NC(=O)c4ccc(F)cn4)ccc3F)COC[C@H]2CS1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 1.00
BACE2 Q9Y5Z0 13/20 1.00
KCNH2 Q12809 4/20 0.69
CTSD P07339 1/20 0.69
CYP2D6 P10635 2/20 0.66

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
Ly-2886721 SCHEMBL971344 1.00 BACE1 (1.00) BACE1BACE2KCNH2CTSDCYP2D6
Ly-2886721 SCHEMBL18195437 1.00 BACE1 (1.00) BACE1BACE2KCNH2CTSDCYP2D6
Ly-2886721 SCHEMBL30477100 1.00 BACE1 (1.00) BACE1BACE2KCNH2CTSDCYP2D6
Ly-2886721 SCHEMBL970474 0.99 BACE1 (0.98) BACE1BACE2KCNH2CTSDCYP2D6
Ly-2886721 SCHEMBL31235710 0.99 BACE1 (0.98) BACE1BACE2KCNH2CTSDCYP2D6
SCHEMBL2620122 0.93 BACE1 (0.87) BACE1BACE2KCNH2CTSDCYP2D6
SCHEMBL2932592 0.93 BACE1 (0.87) BACE1BACE2KCNH2CTSDCYP2D6
SCHEMBL3306806 0.91 BACE1 (0.84) BACE1BACE2KCNH2CTSDCYP2D6
SCHEMBL2620249 0.91 BACE1 (0.84) BACE1BACE2KCNH2CTSDCYP2D6
SCHEMBL2965834 0.91 BACE1 (0.84) BACE1BACE2KCNH2CTSDCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180256720-A1 COMPOSITIONS AND METHODS FOR TREATING HIV-ASSOCIATED NEUROCOGNITIVE DISORDERS THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES (US) 2018-09-13 US claimed
EP-2451793-B1 BACE INHIBITORS LILLY CO ELI (US) 2016-11-02 EP claimed
US-8278441-B2 BACE inhibitors ELI LILLY AND COMPANY (US) 2012-10-02 US claimed
US-20110009395-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2011-01-13 US claimed
US-20230218629-A1 THERAPEUTIC COMPOSITIONS AND METHODS FOR PREVENTION AND TREATMENT OF DIASTOLIC DYSFUNCTION Ambetex Pty Ltd (AU) 2023-07-13 US disclosed
US-20230218629-A1 THERAPEUTIC COMPOSITIONS AND METHODS FOR PREVENTION AND TREATMENT OF DIASTOLIC DYSFUNCTION Ambetex Pty Ltd (AU) 2023-07-13 US disclosed
WO-2023073148-A1 VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 3 AS BIOMARKER FOR BACE2 ACTIVITY JANSSEN PHARMACEUTICA NV (BE) 2023-05-04 WO disclosed
US-11559528-B2 BACE1 inhibition for the treatment of cancer THE CLEVELAND CLINIC FOUNDATION (US) 2023-01-24 US disclosed
US-20210069205-A1 BACE1 INHIBITION FOR THE TREATMENT OF CANCER THE CLEVELAND CLINIC FOUNDATION 2021-03-11 US disclosed
US-20180256720-A1 COMPOSITIONS AND METHODS FOR TREATING HIV-ASSOCIATED NEUROCOGNITIVE DISORDERS THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES (US) 2018-09-13 US disclosed
EP-2451793-B1 BACE INHIBITORS LILLY CO ELI (US) 2016-11-02 EP disclosed
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-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 (5 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-11559528-B2 BACE1 inhibition for the treatment of cancer BACE1, BACE2, APP BACE1 1/4885BACE2 2/4885KCNH2 4431/4885
US-20120323001-A1 BACE INHIBITORS BACE1, BACE2, APP BACE1 1/4885BACE2 2/4885KCNH2 3088/4885
US-20210069205-A1 BACE1 INHIBITION FOR THE TREATMENT OF CANCER BACE1, BACE2, APP BACE1 1/4885BACE2 2/4885KCNH2 4431/4885
US-20110009395-A1 BACE INHIBITORS BACE1, BACE2, APP BACE1 1/4885BACE2 2/4885KCNH2 3088/4885
US-20230218629-A1 THERAPEUTIC COMPOSITIONS AND METHODS FOR PREVENTION AND TREATMENT OF DIASTOLIC DYSFUNCTION TNNI3, TNNT2, TNNC1 BACE1 5/4885BACE2 12/4885KCNH2 2268/4885

“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.