SCHEMBL3356859

SCHEMBL3356859

CC(C)(C)OC(=O)N1CCC[C@H]1COc1cncc(N2CCC(CCOc3ccc(O)cc3)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.46
CHRNA4 P43681 3/20 0.46
CHEK2 O96017 1/20 0.45
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
ALOX5AP P20292 3/20 0.42
FEN1 P39748 1/20 0.42
GPR119 Q8TDV5 3/20 0.41
HRH2 P25021 1/20 0.39
HRH1 P35367 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
SCHEMBL13335385 0.93 CHRNB2 (0.46) CHRNB2CHRNA4CHEK2ALOX5APFEN1
SCHEMBL3361107 0.93 CHRNB2 (0.48) CHRNB2CHRNA4CHEK2CHRNB4CHRNA3
SCHEMBL3358344 0.91 PRMT5 (0.46) CHRNB2CHRNA4CHEK2CHRNB4CHRNA3
SCHEMBL7926751 0.89 CHRNB2 (0.46) CHRNB2CHRNA4CHEK2CHRNB4CHRNA3
SCHEMBL13335337 0.89 CHRNB2 (0.46) CHRNB2CHRNA4CHEK2CHRNB4CHRNA3
SCHEMBL3358952 0.87 CHRNB2 (0.48) CHRNB2CHRNA4CHEK2CHRNB4CHRNA3
SCHEMBL3360739 0.87 CHRNB2 (0.43) CHRNB2CHRNA4CHEK2CHRNB4CHRNA3
SCHEMBL13308485 0.86 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3ALOX5AP
SCHEMBL3356642 0.86 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3ALOX5AP
SCHEMBL3358841 0.86 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3ALOX5AP

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 9 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-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-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-8445684-B2 Nicotinic acetylcholine receptor ligands and the uses thereof PsycoGenics Inc. (US) 2013-05-21 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
US-20100152450-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF PSYCHOGENICS, INC. (US) 2010-06-17 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 5/4885CHEK2 1609/4885
US-20130184313-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF CHRNG, CHRNA5, CHRNA2 CHRNB2 12/4885CHRNA4 5/4885CHEK2 1609/4885

“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.