SCHEMBL9947852

SCHEMBL9947852

CC#Cc1cncc(-c2ccc3c(c2)C2(N=C(C)C(N)=N2)C2(CCC(OCC)CC2)C3)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 18/20 1.00
APP P05067 17/20 1.00
CTSD P07339 1/20 0.83
BACE2 Q9Y5Z0 1/20 0.83

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
SCHEMBL19568068 1.00 BACE1 (1.00) BACE1APPCTSDBACE2
SCHEMBL9948783 1.00 BACE1 (1.00) BACE1APPCTSDBACE2
Lanabecestat SCHEMBL9948271 0.91 BACE1 (1.00) BACE1APPCTSDBACE2
Lanabecestat SCHEMBL18562845 0.91 BACE1 (1.00) BACE1APPCTSDBACE2
SCHEMBL19373405 0.91 BACE1 (0.87) BACE1APPCTSDBACE2
Lanabecestat SCHEMBL23085139 0.91 BACE1 (1.00) BACE1APPCTSDBACE2
Lanabecestat SCHEMBL9947972 0.91 BACE1 (1.00) BACE1APPCTSDBACE2
Lanabecestat SCHEMBL9947974 0.91 BACE1 (1.00) BACE1APPCTSDBACE2
Lanabecestat SCHEMBL20702043 0.91 BACE1 (1.00) BACE1APPCTSDBACE2
Lanabecestat SCHEMBL10249926 0.91 BACE1 (1.00) BACE1APPCTSDBACE2

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3176172-A1 SPIROIMIDAZOLE COMPOUNDS AND THEIR USE AS BACE INHIBITORS Astrazeneca AB (SE) 2017-06-07 EP claimed
US-20160184303-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2016-06-30 US claimed
US-9248129-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2016-02-02 US claimed
US-20150133471-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2015-05-14 US claimed
US-8865911-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2014-10-21 US claimed
EP-2655378-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS AstraZeneca AB (SE) 2013-10-30 EP claimed
US-20130210837-A1 Compounds and Their Use as BACE Inhibitors ASTRAZENECA INTELLECTUAL PROPERTY 2013-08-15 US claimed
WO-2012087237-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2012-06-28 WO claimed
EP-3176172-B1 SPIROIMIDAZOLE COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2020-01-29 EP disclosed
US-10231967-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2019-03-19 US disclosed
US-20180221367-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2018-08-09 US disclosed
US-9918985-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2018-03-20 US disclosed
US-9918985-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2018-03-20 US disclosed
US-20170319578-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2017-11-09 US disclosed
US-9248129-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2016-02-02 US disclosed
US-20150133471-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2015-05-14 US disclosed
US-8865911-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2014-10-21 US disclosed
US-20130210837-A1 Compounds and Their Use as BACE Inhibitors ASTRAZENECA INTELLECTUAL PROPERTY 2013-08-15 US disclosed
US-8415483-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2013-04-09 US disclosed
US-20120165347-A1 Compounds and their use as BACE Inhibitors ASTRAZENECA AB (SE) 2012-06-28 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 (7 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-20150133471-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS BACE1, BACE2, APP BACE1 1/4885APP 3/4885CTSD 50/4885
US-20120165347-A1 Compounds and their use as BACE Inhibitors BACE1, BACE2, APP BACE1 1/4885APP 3/4885CTSD 50/4885
US-20130210837-A1 Compounds and Their Use as BACE Inhibitors BACE1, BACE2, APP BACE1 1/4885APP 3/4885CTSD 50/4885
US-10231967-B2 Compounds and their use as BACE inhibitors BACE1, BACE2, APP BACE1 1/4885APP 3/4885CTSD 50/4885
US-20180221367-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS BACE1, BACE2, APP BACE1 1/4885APP 3/4885CTSD 50/4885
US-20160184303-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS BACE1, BACE2, APP BACE1 1/4885APP 3/4885CTSD 50/4885
US-20170319578-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS BACE1, BACE2, APP BACE1 1/4885APP 3/4885CTSD 50/4885

“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.