SCHEMBL3361683

SCHEMBL3361683

CC(C)(C)OC(=O)N1CC[C@@H]1COc1ncccc1Br

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.41
GPR119 Q8TDV5 4/20 0.41
POLB P06746 3/20 0.40
ALOX5AP P20292 2/20 0.40
FEN1 P39748 2/20 0.40
KDM4E B2RXH2 1/20 0.38
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
PARP1 P09874 1/20 0.37
DTYMK P23919 1/20 0.37

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
SCHEMBL30181627 0.81 ALOX5AP (0.47) POLBALOX5APFEN1KDM4E
SCHEMBL7409193 0.81 CHRNB2 (0.54) GPR119
SCHEMBL7453857 0.81 CHRNB2 (0.54) GPR119
SCHEMBL27462042 0.81 GPR119 (0.48) GPR119POLBALOX5APFEN1
SCHEMBL29007782 0.81 SSTR4 (0.47) POLBALOX5APFEN1KDM4E
SCHEMBL30181179 0.81 ALOX5AP (0.46) UCHL1GPR119POLBALOX5APFEN1
SCHEMBL14334945 0.81 ALOX5AP (0.50) UCHL1GPR119POLBALOX5APFEN1
SCHEMBL29008012 0.81 SSTR4 (0.47) GPR119POLBALOX5APFEN1KDM4E
SCHEMBL15916877 0.81 ALOX5AP (0.56) GPR119POLBALOX5APFEN1KDM4E
SCHEMBL14334638 0.81 ALOX5AP (0.50) UCHL1GPR119POLBALOX5APFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152450-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF PSYCHOGENICS, INC. (US) 2010-06-17 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-20100152450-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF CHRNG, CHRNA5, CHRNA2 UCHL1 2815/4885GPR119 223/4885POLB 4244/4885

“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.