SCHEMBL2377231

SCHEMBL2377231

N#CN=C1CC(C2CCOCC2)Oc2ccc(Br)cc21

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RORC P51449 13/20 0.36
PBRM1 Q86U86 1/20 0.36
BCHE P06276 1/20 0.33
CTSD P07339 1/20 0.33
BACE1 P56817 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL2377229 1.00 RORC (0.36) RORCPBRM1BCHECTSDBACE1
SCHEMBL1821897 0.87 BACE1 (0.43) PBRM1BCHECTSDBACE1LMNA
SCHEMBL1821899 0.87 BACE1 (0.43) PBRM1BCHECTSDBACE1LMNA
SCHEMBL7971765 0.86 RORC (0.36) RORC
SCHEMBL1824777 0.77 PBRM1 (0.57) RORCPBRM1
SCHEMBL7960150 0.74 ALDH1A1 (0.36) PBRM1LMNA
SCHEMBL1821234 0.73 MEN1 (0.47) PBRM1MAPTHTT
SCHEMBL1821232 0.73 MEN1 (0.47) PBRM1MAPTHTT
SCHEMBL1822849 0.73 MEN1 (0.47) PBRM1MAPTHTT
SCHEMBL1822626 0.71 ALDH1A1 (0.36) PBRM1BCHELMNAMAPTHTT

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 5 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
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-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 RORC 3245/4885PBRM1 2309/4885BCHE 33/4885
US-20130317014-A1 INHIBITORS OF BETA-SECRETASE BACE1, BACE2, APP RORC 3245/4885PBRM1 2309/4885BCHE 33/4885

“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.