Sugi Predict

Sugi Predict / Compounds / SCHEMBL3580246

SCHEMBL3580246

SCHEMBL3580246

CC(C)[Si](C(C)C)(C(C)C)n1ccc(C#Cc2cccc(Br)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 4/20 0.41
▸ CYSLTR2 Q9NS75 1/20 0.32
▸ CYSLTR1 Q9Y271 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPK1 P28482 1/20 0.30

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
SCHEMBL29779956 0.72 GRM5 (0.53) GRM5ALDH1A1MAPK1
SCHEMBL1375869 0.72 GRM5 (0.53) GRM5ALDH1A1MAPK1
SCHEMBL369247 0.70 CNR1 (0.30) —
SCHEMBL26988477 0.70 GRM5 (0.44) GRM5CYSLTR2CYSLTR1ALDH1A1MAPK1
SCHEMBL7877672 0.67 GRM5 (0.48) GRM5ALDH1A1MAPK1
SCHEMBL8000068 0.66 APP (0.57) GRM5ALDH1A1MAPK1
SCHEMBL29825848 0.66 APP (0.57) GRM5ALDH1A1MAPK1
SCHEMBL28351934 0.66 GRM5 (0.62) GRM5
SCHEMBL29825820 0.66 GRM5 (0.62) GRM5
SCHEMBL14275435 0.66 GRM5 (0.45) GRM5ALDH1A1MAPK1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100168106-A1 Amino-5-(5-membered)heteroarylimidazolone Compounds And The Use Thereof For Beta-secretase Modulation WYETH LLC (US) 2010-07-01 — — US disclosed
US-7705030-B2 Amino-5-(5-membered)hetero-arylimidazolone compounds and the use thereof for β-secretase modulation WYETH LLC (US) 2010-04-27 — — US disclosed
US-20080306091-A1 AMINO-5-(5-MEMBERED)HETERO-ARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR beta-SECRETASE MODULATION WYETH (US) 2008-12-11 — — US disclosed
US-7417047-B2 Amino-5-(5-membered)hetero-arylimidazolone compounds and the use thereof for β-secretase modulation WYETH (US) 2008-08-26 — — US disclosed
EP-1896454-A1 AMlNO-5-(5-MEMBERED)HETEROARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR -SECRETASE MODULATION Wyeth a Corporation of the State of Delaware (US) 2008-03-12 — — EP disclosed
WO-2007005366-A1 AMlNO-5-(5-MEMBERED)HETEROARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR β-SECRETASE MODULATION WYETH (US) 2007-01-11 — — WO disclosed
US-20070004786-A1 Amino-5-(5-membered)hetero-arylimidazolone compounds and the use thereof for beta-secretase modulation WYETH (US) 2007-01-04 — — 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 (3 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-20070004786-A1 Amino-5-(5-membered)hetero-arylimidazolone compounds and the use thereof for beta-secretase modulation BACE1, BACE2, APP GRM5 128/4885CYSLTR2 4087/4885CYSLTR1 3995/4885
US-20080306091-A1 AMINO-5-(5-MEMBERED)HETERO-ARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR beta-SECRETASE MODULATION BACE1, BACE2, APP GRM5 128/4885CYSLTR2 4087/4885CYSLTR1 3995/4885
US-20100168106-A1 Amino-5-(5-membered)heteroarylimidazolone Compounds And The Use Thereof For Beta-secretase Modulation BACE1, BACE2, APP GRM5 101/4885CYSLTR2 4059/4885CYSLTR1 3957/4885

“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.