SCHEMBL2377404

SCHEMBL2377404

C=CC1(O)CC2(CCC(C(C)(C)C)CC2)Oc2ccc(Br)cc21

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.40
BACE1 P56817 8/20 0.32
APP P05067 1/20 0.32
HSD11B1 P28845 1/20 0.32
CTSD P07339 1/20 0.31
AKR1B1 P15121 1/20 0.31

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
SCHEMBL2376398 0.82 BACE1 (0.34) ATMBACE1CTSDAKR1B1
SCHEMBL12246248 0.74 ATM (0.41) ATMBACE1CTSD
SCHEMBL7955920 0.73 ATM (0.43) ATMBACE1AKR1B1
SCHEMBL2374967 0.71 BACE1 (0.50) ATMBACE1APPCTSD
SCHEMBL16105688 0.70 ATM (0.52) ATM
SCHEMBL7962485 0.70 BACE1 (0.67) BACE1CTSD
SCHEMBL7955921 0.69 BACE1 (0.49) ATMBACE1CTSD
SCHEMBL2377505 0.68 ATM (0.76) ATM
SCHEMBL7960607 0.67 ATM (0.47) ATM
SCHEMBL7963193 0.66 BACE1 (0.46) BACE1APPCTSD

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
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 ATM 4610/4885BACE1 1/4885APP 3/4885
US-20130317014-A1 INHIBITORS OF BETA-SECRETASE BACE1, BACE2, APP ATM 4610/4885BACE1 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.