SCHEMBL3360739

SCHEMBL3360739

COc1ccc(COCCC2CCN(c3cncc(OC[C@@H]4CCCN4C(=O)OC(C)(C)C)c3)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.43
CHRNA4 P43681 3/20 0.43
CHRNB4 P30926 2/20 0.42
CHRNA3 P32297 2/20 0.42
CHRNB1 P11230 1/20 0.42
CHRNB3 Q05901 1/20 0.42
ALOX5AP P20292 3/20 0.41
F2RL3 Q96RI0 2/20 0.40
FEN1 P39748 1/20 0.40
SLC2A1 P11166 1/20 0.39
GPR119 Q8TDV5 2/20 0.38
CHEK2 O96017 1/20 0.38
F10 P00742 1/20 0.38

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
SCHEMBL3360888 0.93 CHRNB2 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3CHRNB1
SCHEMBL3358829 0.92 ALOX5AP (0.47) CHRNB2CHRNA4CHRNB4CHRNA3CHRNB1
SCHEMBL3358846 0.92 CHRNB2 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3CHRNB1
SCHEMBL13308485 0.92 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3CHRNB1
SCHEMBL3358841 0.92 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3CHRNB1
SCHEMBL3356642 0.92 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3CHRNB1
SCHEMBL3358703 0.91 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3CHRNB1
SCHEMBL3356556 0.89 GPR119 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3CHRNB1
SCHEMBL13335337 0.88 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3ALOX5AP
SCHEMBL7926751 0.88 CHRNB2 (0.46) 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 5/4885CHRNB4 15/4885
US-20130184313-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF CHRNG, CHRNA5, CHRNA2 CHRNB2 12/4885CHRNA4 5/4885CHRNB4 15/4885

“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.