SCHEMBL2376286

SCHEMBL2376286

O=C1NC(=O)C2(CC3(CCCOC3)Oc3ccc(Br)cc32)N1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.42
AKR1B10 O60218 1/20 0.42
MAPT P10636 1/20 0.42
AKR1A1 P14550 1/20 0.42
BACE1 P56817 1/20 0.35
APP P05067 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
SCHEMBL7949179 0.89 BACE1 (0.34) AKR1B1AKR1B10MAPTAKR1A1BACE1
SCHEMBL7963773 0.89 AKR1B1 (0.44) AKR1B1AKR1B10MAPTAKR1A1
SCHEMBL7948846 0.88 AKR1B1 (0.43) AKR1B1AKR1B10MAPTAKR1A1
SCHEMBL7957216 0.88 AKR1B1 (0.43) AKR1B1AKR1B10MAPTAKR1A1
SCHEMBL7968863 0.86 AKR1B1 (0.45) AKR1B1AKR1B10MAPTAKR1A1
SCHEMBL1982373 0.86 AKR1B1 (0.46) AKR1B1AKR1B10MAPTAKR1A1
SCHEMBL7964975 0.81 AKR1B1 (0.41) AKR1B1AKR1B10MAPTAKR1A1BACE1
SCHEMBL7948929 0.80 ATM (0.41) AKR1B1AKR1B10MAPTAKR1A1BACE1
SCHEMBL7962632 0.79 AKR1B1 (0.47) AKR1B1AKR1B10MAPTAKR1A1BACE1
SCHEMBL7955920 0.79 ATM (0.43) AKR1B1AKR1B10MAPTAKR1A1BACE1

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 13 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
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
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

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 AKR1B1 2656/4885AKR1B10 2842/4885MAPT 61/4885
US-20130317014-A1 INHIBITORS OF BETA-SECRETASE BACE1, BACE2, APP AKR1B1 2656/4885AKR1B10 2842/4885MAPT 61/4885

“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.