SCHEMBL2246337

SCHEMBL2246337

CC1NCC(=O)N1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
EHMT2 Q96KQ7 1/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
GAA P10253 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
SMO Q99835 2/20 0.41
BRD4 O60885 1/20 0.41
ACHE P22303 1/20 0.41
THRB P10828 1/20 0.41
LMNA P02545 1/20 0.40
ALOX12 P18054 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL20348900 0.80 GSK3A (0.47) GSK3AGSK3BEHMT2MEN1KMT2A
SCHEMBL21763648 0.78 GSK3A (0.45) GSK3AGSK3BEHMT2MEN1KMT2A
SCHEMBL21563281 0.78 GSK3A (0.53) GSK3AGSK3BEHMT2MEN1KMT2A
SCHEMBL21563349 0.78 GSK3A (0.53) GSK3AGSK3BEHMT2MEN1KMT2A
SCHEMBL17793378 0.75 GSK3A (0.50) GSK3AGSK3BEHMT2MEN1KMT2A
SCHEMBL19468800 0.75 GSK3A (0.50) GSK3AGSK3BEHMT2MEN1KMT2A
SCHEMBL31495430 0.74 HPGD (0.51) GSK3AGSK3BKMT2AALDH1A1BRD4
SCHEMBL21538655 0.74 LMNA (0.50) EHMT2MEN1KMT2AALDH1A1SMO
SCHEMBL23058167 0.72 HDAC2 (0.58) GSK3AGSK3BEHMT2MEN1KMT2A
SCHEMBL28547806 0.72 L3MBTL1 (0.48) GSK3AGSK3BMEN1KMT2AGAA

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
EP-1951709-B1 IMIDAZOLIDINONE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2012-07-18 EP disclosed
US-8003653-B2 Imidazolidinone compounds useful as β-secretase inhibitors for the treatment of Alzheimer's disease Merck. Sharp & Dohme Corp. (US) 2011-08-23 US disclosed
US-20090111832-A1 Imidazolidinone Compounds Useful as Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease MERCK SHARP & DOHME LLC 2009-04-30 US disclosed
EP-1951709-A2 IMIDAZOLIDINONE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Merck & Co., Inc. (US) 2008-08-06 EP disclosed
WO-2007058862-A2 IMIDAZOLIDINONE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2007-05-24 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-20090111832-A1 Imidazolidinone Compounds Useful as Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease BACE1, BACE2, PSEN1 GSK3A 147/4885GSK3B 97/4885EHMT2 2339/4885

“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.