SCHEMBL502359

SCHEMBL502359

CC(CC=O)c1ccc(-c2ccccc2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.42
SLC6A4 P31645 3/20 0.40
SCN1A P35498 3/20 0.39
SCN2A Q99250 3/20 0.39
SCN3A Q9NY46 3/20 0.39
ACHE P22303 1/20 0.39
BRS3 P32247 1/20 0.37
SLC6A2 P23975 1/20 0.36
BDKRB1 P46663 3/20 0.36
GRIA4 P48058 2/20 0.34
KCNA5 P22460 1/20 0.34
ERN1 O75460 1/20 0.33
MALT1 Q9UDY8 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 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
SCHEMBL502551 0.85 SLC6A3 (0.42) SLC6A3SLC6A4SCN1ASCN2ASCN3A
SCHEMBL14855856 0.81 SLC6A3 (0.47) SLC6A3SLC6A4SCN1ASCN2ASCN3A
SCHEMBL5698693 0.79 SLC6A3 (0.48) SLC6A3SLC6A4SCN1ASCN2ASCN3A
SCHEMBL9569998 0.78 SLC6A3 (0.47) SLC6A3SLC6A4SCN1ASCN2ASCN3A
SCHEMBL6983827 0.78 ACHE (0.46) SLC6A3SLC6A4SCN1ASCN2ASCN3A
SCHEMBL6900241 0.77 SLC6A3 (0.68) SLC6A3SLC6A4SCN1ASCN2ASCN3A
SCHEMBL29389473 0.77 BCAT2 (0.52) SLC6A3SLC6A4SCN1ASCN2ASCN3A
SCHEMBL9531321 0.77 BCAT2 (0.52) SLC6A3SLC6A4SCN1ASCN2ASCN3A
SCHEMBL8875151 0.76 ACHE (0.48) SLC6A3SLC6A4SCN1ASCN2ASCN3A
SCHEMBL517 0.76 SLC6A3 (0.50) SLC6A3SLC6A4SCN1ASCN2ASCN3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318767-B2 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP (US) 2012-11-27 US disclosed
US-20120088788-A1 SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS SCHERING CORPORATION 2012-04-12 US disclosed
US-8106070-B2 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. (US) 2012-01-31 US disclosed
US-20100004280-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators ALBANY MOLECULAR RESEARCH, INC. 2010-01-07 US disclosed
EP-2083822-A2 SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS Merck & Co., Inc. (US) 2009-08-05 EP disclosed
WO-2008051404-A2 SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS MERCK & CO., INC. (US) 2008-05-02 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-20120088788-A1 SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS BRS3, GPR119, GIPR SLC6A3 395/4885SLC6A4 1247/4885SCN1A 1749/4885
US-20100004280-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators BRS3, GPR119, GIPR SLC6A3 395/4885SLC6A4 1247/4885SCN1A 1749/4885

“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.