SCHEMBL1465073

SCHEMBL1465073

N#CN=C1c2cc(-c3cccc(C#N)c3)ccc2CC12CCCc1cnncc1C2

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 11/20 0.49
PGR P06401 6/20 0.41
OTUD7B Q6GQQ9 3/20 0.38
AR P10275 1/20 0.35

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
SCHEMBL1465070 1.00 BACE1 (0.49) BACE1PGROTUD7BAR
SCHEMBL16223245 0.91 BACE1 (0.47) BACE1PGROTUD7BAR
SCHEMBL16223247 0.91 BACE1 (0.47) BACE1PGROTUD7BAR
SCHEMBL1463864 0.91 BACE1 (0.46) BACE1PGROTUD7BAR
SCHEMBL12747560 0.91 BACE1 (0.46) BACE1PGROTUD7BAR
SCHEMBL1463865 0.91 BACE1 (0.46) BACE1PGROTUD7BAR
SCHEMBL7888593 0.89 BACE1 (0.47) BACE1PGROTUD7B
SCHEMBL1464566 0.89 BACE1 (0.47) BACE1PGROTUD7B
SCHEMBL1464568 0.89 BACE1 (0.47) BACE1PGROTUD7B
SCHEMBL1465333 0.85 BACE1 (0.52) BACE1PGROTUD7B

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 8 patents. 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-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
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-8633212-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2014-01-21 US disclosed
US-20110071126-A1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. 2011-03-24 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 (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 BACE1 1/4885PGR 4426/4885OTUD7B 923/4885
US-10336717-B2 Inhibitors of beta-secretase BACE1, BACE2, PSEN1 BACE1 1/4885PGR 4426/4885OTUD7B 923/4885
US-20160272600-A1 INHIBITORS OF BETA-SECRETASE BACE1, BACE2, PSEN1 BACE1 1/4885PGR 4426/4885OTUD7B 923/4885
US-20110071126-A1 INHIBITORS OF BETA-SECRETASE BACE1, BACE2, PSEN1 BACE1 1/4885PGR 4426/4885OTUD7B 923/4885

“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.