SCHEMBL1825322

SCHEMBL1825322

O=C1CC(c2cccc(Cl)c2)Oc2ccc(Br)cc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.58
PBRM1 Q86U86 1/20 0.55
CYP19A1 P11511 3/20 0.50
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
ABCB1 P08183 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.48
ADORA3 P0DMS8 2/20 0.48
MAOB P27338 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KMT2A Q03164 1/20 0.46
MAPT P10636 2/20 0.46
CYP3A4 P08684 2/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL4366347 0.87 AR (0.73) ARCYP19A1RAB9ANPC1ADORA3
SCHEMBL1823377 0.86 AR (0.57) ARPBRM1CYP19A1RAB9ANPC1
SCHEMBL7957935 0.86 AR (0.43) ARPBRM1CYP19A1RAB9ANPC1
SCHEMBL1820699 0.85 AR (0.74) ARPBRM1CYP19A1RAB9ANPC1
SCHEMBL14053522 0.85 AR (0.74) ARPBRM1CYP19A1RAB9ANPC1
SCHEMBL1823831 0.84 AR (0.58) ARPBRM1CYP19A1RAB9ANPC1
SCHEMBL7958698 0.84 AR (0.52) ARCYP19A1RAB9ANPC1ABCB1
SCHEMBL11246350 0.83 MAOB (0.69) ARCYP19A1RAB9ANPC1ADORA3
SCHEMBL11246346 0.83 MAOB (0.69) ARCYP19A1RAB9ANPC1ADORA3
SCHEMBL11249386 0.83 PBRM1 (0.63) ARPBRM1CYP19A1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2958562-B1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC (US) 2025-09-10 EP disclosed
US-9840512-B2 Antidiabetic bicyclic compounds MERCK SHARP & DOHME CORP. (US) 2017-12-12 US disclosed
US-9840512-B2 Antidiabetic bicyclic compounds MERCK SHARP & DOHME CORP. (US) 2017-12-12 US disclosed
US-9840512-B2 Antidiabetic bicyclic compounds MERCK SHARP & DOHME CORP. (US) 2017-12-12 US disclosed
US-20160002255-A1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2016-01-07 US disclosed
US-20160002255-A1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2016-01-07 US disclosed
US-20160002255-A1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2016-01-07 US disclosed
EP-2958562-A1 ANTIDIABETIC BICYCLIC COMPOUNDS Merck Sharp & Dohme Corp. (US) 2015-12-30 EP disclosed
US-8921359-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2014-12-30 US disclosed
US-8921359-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2014-12-30 US disclosed
US-20130317014-A1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. 2013-11-28 US disclosed
US-8450308-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2013-05-28 US disclosed
US-8450308-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2013-05-28 US disclosed
US-8450308-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2013-05-28 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
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 (3 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 AR 4331/4885PBRM1 2309/4885CYP19A1 1456/4885
US-20130317014-A1 INHIBITORS OF BETA-SECRETASE BACE1, BACE2, APP AR 4331/4885PBRM1 2309/4885CYP19A1 1456/4885
US-20160002255-A1 ANTIDIABETIC BICYCLIC COMPOUNDS GPR119, GPR65, GLP1R AR 811/4885PBRM1 3637/4885CYP19A1 1166/4885

“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.