SCHEMBL3515660

SCHEMBL3515660

CC(C)(C)OC(=O)c1ccccc1-c1ccc(CCCO)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.52
ACHE P22303 1/20 0.50
BRS3 P32247 5/20 0.47
CYP4A11 Q02928 2/20 0.46
PPARA Q07869 1/20 0.45
SLC6A3 Q01959 3/20 0.43
SLC6A4 P31645 2/20 0.43
LPAR1 Q92633 3/20 0.43
LTB4R2 Q9NPC1 2/20 0.41
CYP4F2 P78329 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41

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
SCHEMBL9854183 0.86 ACHE (0.48) NR1H2ACHEBRS3SLC6A3SLC6A4
SCHEMBL8875151 0.86 ACHE (0.48) ACHEBRS3PPARASLC6A3SLC6A4
SCHEMBL4074654 0.85 ALDH1A1 (0.47) NR1H2ACHEBRS3SLC6A3SLC6A4
SCHEMBL6983827 0.84 ACHE (0.46) NR1H2ACHEBRS3SLC6A3SLC6A4
SCHEMBL283 0.83 SLC6A3 (0.48) ACHEBRS3SLC6A3SLC6A4LTB4R2
SCHEMBL489306 0.83 NR1H2 (0.48) NR1H2ACHEBRS3SLC6A3SLC6A4
SCHEMBL4080196 0.83 BRS3 (0.47) ACHEBRS3SLC6A3SLC6A4LTB4R2
SCHEMBL9447390 0.81 ACHE (0.46) ACHEBRS3SLC6A3SLC6A4LTB4R2
SCHEMBL29389473 0.81 BCAT2 (0.52) SLC6A3SLC6A4CHRNB2CHRNB4CHRNA3
SCHEMBL9531321 0.81 BCAT2 (0.52) SLC6A3SLC6A4CHRNB2CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183275-B2 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. (US) 2012-05-22 US disclosed
US-20100204236-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. 2010-08-12 US disclosed
EP-2083623-A1 SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS Merck & Co., Inc. (US) 2009-08-05 EP disclosed
WO-2008051405-A1 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 (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-20100204236-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators BRS3, GPR119, GIPR NR1H2 1777/4885ACHE 3789/4885BRS3 1/4885

“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.