SCHEMBL3124444

SCHEMBL3124444

O=C1C[C@@H]([C@@H]2CCCOC2)Oc2ccc(Br)cc21

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.52
AR P10275 1/20 0.47
BACE1 P56817 6/20 0.47
APP P05067 5/20 0.47
STS P08842 1/20 0.46
RORC P51449 5/20 0.41
CYP19A1 P11511 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL16105864 1.00 PBRM1 (0.52) PBRM1ARBACE1APPSTS
SCHEMBL1824234 1.00 PBRM1 (0.52) PBRM1ARBACE1APPSTS
SCHEMBL7968965 1.00 PBRM1 (0.52) PBRM1ARBACE1APPSTS
SCHEMBL1821203 0.85 STS (0.60) PBRM1ARSTSRORCCYP19A1
SCHEMBL1824777 0.84 PBRM1 (0.57) PBRM1ARSTSRORC
SCHEMBL1979482 0.84 PBRM1 (0.63) PBRM1ARSTSRORCCYP19A1
SCHEMBL7957606 0.83 STS (0.45) BACE1APPSTSRORC
SCHEMBL7964444 0.81 STS (0.46) BACE1APPSTSRORC
SCHEMBL7968934 0.81 STS (0.46) BACE1APPSTSRORC
SCHEMBL1821897 0.80 BACE1 (0.43) PBRM1ARBACE1APPMEN1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2324032-B1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS INC (US) 2014-10-01 EP disclosed
EP-2324032-B1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS INC (US) 2014-10-01 EP 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
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 (1 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 2309/4885AR 4331/4885BACE1 1/4885

“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.