SCHEMBL9948362

SCHEMBL9948362

O=C1c2cc(OCCC(F)(F)F)ccc2CC12CCC(O)CC2

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.41
BACE1 P56817 4/20 0.39
APP P05067 2/20 0.39
PDK2 Q15119 5/20 0.37
SIGMAR1 Q99720 1/20 0.35
ACACB O00763 1/20 0.35
MGAT2 Q10469 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
OPRM1 P35372 1/20 0.34

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
SCHEMBL9948364 1.00 MAOB (0.41) MAOBBACE1APPPDK2SIGMAR1
SCHEMBL9948266 0.87 BACE1 (0.53) BACE1APP
SCHEMBL9948269 0.87 BACE1 (0.53) BACE1APP
SCHEMBL9948033 0.86 MAOB (0.45) MAOBBACE1APPACACBOPRM1
SCHEMBL9948622 0.86 BACE1 (0.38) MAOBBACE1APPPDK2
SCHEMBL7893883 0.83 OPRM1 (0.41) BACE1OPRM1
SCHEMBL7887635 0.82 BACE1 (0.51) BACE1SIGMAR1SLC6A4SLC6A3
SCHEMBL9947994 0.79 BACE1 (0.50) BACE1APPPDK2SIGMAR1ACACB
SCHEMBL9947992 0.79 BACE1 (0.50) BACE1APPPDK2SIGMAR1ACACB
SCHEMBL20451538 0.79 MAOA (0.49) MAOBBACE1PDK2

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 16 patents. 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
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-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
EP-2655378-B1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2017-03-01 EP disclosed
US-20160184303-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2016-06-30 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-9000182-B2 2H-imidazol-4-amine compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2015-04-07 US disclosed
US-8865911-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2014-10-21 US disclosed
US-20130345246-A1 2H-Imidazol-4-Amine Compounds and Their Use as Bace Inhibitors ASTRAZENECA AB (SE) 2013-12-26 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 (8 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 MAOB 75/4885BACE1 1/4885APP 3/4885
US-20120165347-A1 Compounds and their use as BACE Inhibitors BACE1, BACE2, APP MAOB 75/4885BACE1 1/4885APP 3/4885
US-20130210837-A1 Compounds and Their Use as BACE Inhibitors BACE1, BACE2, APP MAOB 75/4885BACE1 1/4885APP 3/4885
US-10231967-B2 Compounds and their use as BACE inhibitors BACE1, BACE2, APP MAOB 75/4885BACE1 1/4885APP 3/4885
US-20180221367-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS BACE1, BACE2, APP MAOB 75/4885BACE1 1/4885APP 3/4885
US-20130345246-A1 2H-Imidazol-4-Amine Compounds and Their Use as Bace Inhibitors BACE1, BACE2, PSEN2 MAOB 127/4885BACE1 1/4885APP 5/4885
US-20160184303-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS BACE1, BACE2, APP MAOB 75/4885BACE1 1/4885APP 3/4885
US-20170319578-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS BACE1, BACE2, APP MAOB 75/4885BACE1 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.