SCHEMBL27895

SCHEMBL27895

COc1ccc(COc2ccc3c(c2)C(=O)CC3)cc1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 15/20 0.67
MAOA P21397 14/20 0.67
HRH3 Q9Y5N1 2/20 0.51
BRD4 O60885 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL4708272 0.89 MAOB (0.67) MAOBMAOAHRH3
SCHEMBL2524800 0.85 MAOB (0.84) MAOBMAOAHRH3NPC1RAB9A
SCHEMBL30353268 0.85 MAOB (0.84) MAOBMAOAHRH3NPC1RAB9A
SCHEMBL251842 0.83 MAOB (0.54) MAOBHRH3BRD4NPC1RAB9A
SCHEMBL29392039 0.83 MAOB (0.54) MAOBHRH3BRD4NPC1RAB9A
SCHEMBL4812829 0.82 MAOA (0.47) MAOBMAOA
SCHEMBL7222729 0.82 MAOB (0.97) MAOBMAOA
SCHEMBL3857144 0.81 MAOA (0.81) MAOBMAOA
Butane SCHEMBL4688097 0.80 BRD4 (0.52) MAOBHRH3BRD4
SCHEMBL7215662 0.80 MAOB (0.94) MAOBMAOANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10336717-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, LLC (US) 2019-07-02 US disclosed
US-10336717-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, LLC (US) 2019-07-02 US disclosed
US-20160272600-A1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, LLC 2016-09-22 US disclosed
US-20160272600-A1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, LLC 2016-09-22 US disclosed
US-20160272600-A1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, LLC 2016-09-22 US disclosed
EP-2406240-B1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS INC (US) 2015-12-23 EP disclosed
US-9212153-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2015-12-15 US disclosed
US-9212153-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2015-12-15 US disclosed
CN-102348698-B Inhibitors of beta-secretase VITAE PHARMACEUTICALS INC 2015-06-03 CN disclosed
EP-2801570-A1 Inhibitors of beta-secretase Vitae Pharmaceuticals, Inc. (US) 2014-11-12 EP disclosed
US-20140200223-A1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. 2014-07-17 US disclosed
US-20140200223-A1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. 2014-07-17 US disclosed
US-8633212-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2014-01-21 US disclosed
US-8633212-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2014-01-21 US disclosed
US-8633212-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2014-01-21 US disclosed
EP-2406240-A2 INHIBITORS OF BETA-SECRETASE Vitae Pharmaceuticals, Inc. (US) 2012-01-18 EP disclosed
US-20110071126-A1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. 2011-03-24 US disclosed
US-20110071126-A1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. 2011-03-24 US disclosed
US-20110071126-A1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. 2011-03-24 US disclosed
WO-2010105179-A2 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. (US) 2010-09-16 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-20140200223-A1 INHIBITORS OF BETA-SECRETASE BACE1, BACE2, PSEN1 MAOB 1182/4885MAOA 1526/4885HRH3 2784/4885
US-10336717-B2 Inhibitors of beta-secretase BACE1, BACE2, PSEN1 MAOB 1182/4885MAOA 1526/4885HRH3 2784/4885
US-20160272600-A1 INHIBITORS OF BETA-SECRETASE BACE1, BACE2, PSEN1 MAOB 1182/4885MAOA 1526/4885HRH3 2784/4885
US-20110071126-A1 INHIBITORS OF BETA-SECRETASE BACE1, BACE2, PSEN1 MAOB 1182/4885MAOA 1526/4885HRH3 2784/4885

“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.