SCHEMBL3356492

SCHEMBL3356492

CC(C)(C)OC(=O)N1CC[C@H]1COc1cncc(-c2cccc(C[C@H](O)Cc3ccccc3)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 13/20 0.46
CHRNB1 P11230 11/20 0.46
CHRNB4 P30926 11/20 0.46
CHRNA3 P32297 11/20 0.46
CHRNB3 Q05901 11/20 0.46
YAP1 P46937 2/20 0.39
JAK2 O60674 1/20 0.39
CHRNA4 P43681 2/20 0.39
DPP4 P27487 1/20 0.38
NR1H2 P55055 2/20 0.37
NR1H3 Q13133 2/20 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
SCHEMBL3358350 1.00 CHRNB2 (0.46) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
SCHEMBL3356706 0.92 CHRNB2 (0.44) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
SCHEMBL3356704 0.92 CHRNB2 (0.44) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
SCHEMBL3358840 0.92 CHRNB2 (0.44) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
SCHEMBL2307755 0.92 CHRNB2 (0.44) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
SCHEMBL7923228 0.90 CHRNB1 (0.46) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
SCHEMBL6585505 0.88 CHRNB2 (0.58) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
SCHEMBL3356476 0.86 CHRNB1 (0.48) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
SCHEMBL3357340 0.85 CHRNB2 (0.44) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
SCHEMBL3360377 0.85 CHRNB2 (0.44) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3

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 10 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
WO-2010045212-A2 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF PSYCHOGENICS, INCSTATUTS (US) 2010-04-22 WO 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 12/4885CHRNB1 11/4885CHRNB4 15/4885
US-20130184313-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF CHRNG, CHRNA5, CHRNA2 CHRNB2 12/4885CHRNB1 11/4885CHRNB4 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.