SCHEMBL9948211

SCHEMBL9948211

O=C1c2cc(Br)ccc2CC12CCC(C(F)F)CC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 7/20 0.44
APP P05067 1/20 0.44
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PNMT P11086 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
TDP2 O95551 1/20 0.34
PARP1 P09874 1/20 0.34
PARP10 Q53GL7 1/20 0.34
TGM2 P21980 1/20 0.33
CES1 P23141 1/20 0.33
CMA1 P23946 1/20 0.33
AHR P35869 1/20 0.33
METAP1 P53582 1/20 0.32
PTPRC P08575 1/20 0.32
S100A4 P26447 1/20 0.32

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
SCHEMBL9948162 0.83 TDP1 (0.46) TDP1L3MBTL1CA1CA2CA4
SCHEMBL9948658 0.83 APP (0.44) BACE1APPPNMT
SCHEMBL1464797 0.83 BACE1 (0.50) BACE1APPTDP1L3MBTL1
SCHEMBL30052 0.83 BACE1 (0.50) BACE1APPTDP1L3MBTL1
SCHEMBL1464901 0.81 BACE1 (0.44) BACE1APPTDP1L3MBTL1CA1
SCHEMBL17679226 0.81 BACE1 (0.44) BACE1APPTDP1L3MBTL1CA1
SCHEMBL1465873 0.81 BACE1 (0.44) BACE1APPTDP1L3MBTL1CA1
SCHEMBL30467 0.81 BACE1 (0.44) BACE1APPTDP1L3MBTL1CA1
SCHEMBL21654404 0.81 BACE1 (0.45) BACE1APPPNMT
SCHEMBL19568063 0.81 BACE1 (0.54) BACE1APPPNMT

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 41 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-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-20130210837-A1 Compounds and Their Use as BACE Inhibitors ASTRAZENECA INTELLECTUAL PROPERTY 2013-08-15 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-8415483-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2013-04-09 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
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
WO-2012087237-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2012-06-28 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 (4 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-20120165347-A1 Compounds and their use as BACE Inhibitors BACE1, BACE2, APP BACE1 1/4885APP 3/4885TDP1 82/4885
US-20130210837-A1 Compounds and Their Use as BACE Inhibitors BACE1, BACE2, APP BACE1 1/4885APP 3/4885TDP1 82/4885
US-10231967-B2 Compounds and their use as BACE inhibitors BACE1, BACE2, APP BACE1 1/4885APP 3/4885TDP1 82/4885
US-20180221367-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS BACE1, BACE2, APP BACE1 1/4885APP 3/4885TDP1 82/4885

“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.