SCHEMBL6983827

SCHEMBL6983827

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.46
BRS3 P32247 8/20 0.45
GPR52 Q9Y2T5 1/20 0.44
SLC6A3 Q01959 4/20 0.42
SLC6A4 P31645 3/20 0.42
NR1H2 P55055 1/20 0.38
SLC6A2 P23975 1/20 0.37
LTB4R2 Q9NPC1 2/20 0.37
SCN1A P35498 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
LPAR1 Q92633 1/20 0.36
PTGS2 P35354 1/20 0.36

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
SCHEMBL3515660 0.84 NR1H2 (0.52) ACHEBRS3SLC6A3SLC6A4NR1H2
SCHEMBL9854183 0.84 ACHE (0.48) ACHEBRS3SLC6A3SLC6A4NR1H2
SCHEMBL8875151 0.84 ACHE (0.48) ACHEBRS3SLC6A3SLC6A4SLC6A2
SCHEMBL4074654 0.83 ALDH1A1 (0.47) ACHEBRS3SLC6A3SLC6A4NR1H2
SCHEMBL489306 0.81 NR1H2 (0.48) ACHEBRS3SLC6A3SLC6A4NR1H2
SCHEMBL283 0.81 SLC6A3 (0.48) ACHEBRS3SLC6A3SLC6A4SLC6A2
SCHEMBL4080196 0.81 BRS3 (0.47) ACHEBRS3SLC6A3SLC6A4LTB4R2
SCHEMBL9569998 0.80 SLC6A3 (0.47) ACHEBRS3SLC6A3SLC6A4SLC6A2
SCHEMBL3515882 0.79 GPR52 (0.55) BRS3GPR52LTB4R2LPAR1
SCHEMBL9447390 0.79 ACHE (0.46) ACHEBRS3SLC6A3SLC6A4SLC6A2

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 2 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

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 ACHE 3789/4885BRS3 1/4885GPR52 186/4885

“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.