SCHEMBL13335166

SCHEMBL13335166

CC(C)(C)OC(=O)N1CC[C@H]1COc1cncc(S)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 7/20 0.44
CHRNA4 P43681 6/20 0.44
CHRNA3 P32297 3/20 0.44
CHRNB4 P30926 2/20 0.44
CHRNA2 Q15822 1/20 0.40
CHRNB1 P11230 1/20 0.40
CHRNB3 Q05901 1/20 0.40
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
DAPK3 O43293 1/20 0.39
ROCK2 O75116 1/20 0.39
PRKCG P05129 1/20 0.39
PIM1 P11309 1/20 0.39
RPS6KB1 P23443 1/20 0.39
AKT1 P31749 1/20 0.39
LIMK1 P53667 1/20 0.39
CDK5 Q00535 1/20 0.39
PRKCD Q05655 1/20 0.39
PAK1 Q13153 1/20 0.39
STK3 Q13188 1/20 0.39

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
SCHEMBL13335249 1.00 CHRNB2 (0.44) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA2
SCHEMBL15117372 0.94 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA2
SCHEMBL7465912 0.89 CHRNB2 (0.57) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA2
SCHEMBL7475438 0.88 CHRNB2 (0.45) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA2
SCHEMBL7475109 0.88 CHRNB2 (0.54) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA2
SCHEMBL2300523 0.87 CHRNB2 (0.55) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA2
SCHEMBL7475269 0.87 CHRNB2 (0.48) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA2
SCHEMBL7474322 0.87 CHRNB2 (0.44) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA2
SCHEMBL14941847 0.87 CHRNB2 (0.45) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA2
SCHEMBL2185913 0.87 CHRNB2 (0.55) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130184313-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2013-07-18 US disclosed
US-8445684-B2 Nicotinic acetylcholine receptor ligands and the uses thereof PsycoGenics Inc. (US) 2013-05-21 US disclosed
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 (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-20100152450-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF CHRNG, CHRNA5, CHRNA2 CHRNB2 12/4885CHRNA4 5/4885CHRNA3 6/4885
US-20130184313-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF CHRNG, CHRNA5, CHRNA2 CHRNB2 12/4885CHRNA4 5/4885CHRNA3 6/4885

“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.