SCHEMBL1824232

SCHEMBL1824232

CC1(C)CC(C2CC(=O)c3cc(Br)ccc3O2)CCO1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.52
BACE1 P56817 4/20 0.52
APP P05067 2/20 0.52
AR P10275 1/20 0.42
RORC P51449 12/20 0.40
STS P08842 1/20 0.39
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL2375933 0.85 PBRM1 (0.57) PBRM1BACE1APPARRORC
SCHEMBL1824777 0.81 PBRM1 (0.57) PBRM1ARRORCSTS
SCHEMBL1979482 0.81 PBRM1 (0.63) PBRM1ARRORCSTS
SCHEMBL9947920 0.78 BACE1 (0.44) PBRM1BACE1APP
SCHEMBL1824673 0.78 RORC (0.43) BACE1APPARRORCSTS
SCHEMBL12246330 0.78 BACE1 (0.43) BACE1APPRORCSTS
SCHEMBL9947917 0.78 BACE1 (0.44) PBRM1BACE1APP
SCHEMBL1821203 0.77 STS (0.60) PBRM1ARRORCSTSPOLB
SCHEMBL17880806 0.77 PBRM1 (0.52) PBRM1BACE1APPARRORC
SCHEMBL1824234 0.75 PBRM1 (0.52) PBRM1BACE1APPARRORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3176172-B1 SPIROIMIDAZOLE COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2020-01-29 EP disclosed
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-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-20180221367-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2018-08-09 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-20170319578-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2017-11-09 US disclosed
EP-3176172-A1 SPIROIMIDAZOLE COMPOUNDS AND THEIR USE AS BACE INHIBITORS Astrazeneca AB (SE) 2017-06-07 EP disclosed
US-20120165347-A1 Compounds and their use as BACE Inhibitors ASTRAZENECA AB (SE) 2012-06-28 US disclosed
US-20120165347-A1 Compounds and their use as BACE Inhibitors ASTRAZENECA AB (SE) 2012-06-28 US disclosed
US-20120165347-A1 Compounds and their use as BACE Inhibitors ASTRAZENECA AB (SE) 2012-06-28 US disclosed
WO-2012087237-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2012-06-28 WO disclosed
US-20110218192-A1 Inhibitors Of Beta-Secretase VITAE PHARMACEUTICALS, INC. (US) 2011-09-08 US disclosed
US-20110218192-A1 Inhibitors Of Beta-Secretase VITAE PHARMACEUTICALS, INC. (US) 2011-09-08 US disclosed
US-20110218192-A1 Inhibitors Of Beta-Secretase VITAE PHARMACEUTICALS, INC. (US) 2011-09-08 US disclosed
EP-2324032-A2 INHIBITORS OF BETA-SECRETASE Vitae Pharmaceuticals, Inc. (US) 2011-05-25 EP disclosed
WO-2010021680-A2 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. (US) 2010-02-25 WO disclosed
WO-2010021680-A2 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. (US) 2010-02-25 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-20110218192-A1 Inhibitors Of Beta-Secretase BACE1, BACE2, APP PBRM1 2309/4885BACE1 1/4885APP 3/4885
US-20120165347-A1 Compounds and their use as BACE Inhibitors BACE1, BACE2, APP PBRM1 1604/4885BACE1 1/4885APP 3/4885
US-10231967-B2 Compounds and their use as BACE inhibitors BACE1, BACE2, APP PBRM1 1604/4885BACE1 1/4885APP 3/4885
US-20180221367-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS BACE1, BACE2, APP PBRM1 1604/4885BACE1 1/4885APP 3/4885
US-20170319578-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS BACE1, BACE2, APP PBRM1 1604/4885BACE1 1/4885APP 3/4885

“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.