SCHEMBL2303552

SCHEMBL2303552

CN1CCC[C@H]1COc1cncc(-c2cc(CCCO)no2)c1

nearest known ligand 0.89

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 18/20 0.89
CHRNA4 P43681 6/20 0.89
CHRNA3 P32297 13/20 0.62
CHRNB4 P30926 11/20 0.62
CHRNB1 P11230 10/20 0.62
CHRNB3 Q05901 10/20 0.62

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
SCHEMBL3358495 0.88 CHRNB2 (0.75) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
Hydrochloric Acid SCHEMBL3357864 0.87 CHRNB2 (0.74) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
SCHEMBL3361350 0.85 CHRNB2 (0.77) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
SCHEMBL7931229 0.79 CHRNB2 (1.00) CHRNB2CHRNA4
SCHEMBL3356800 0.79 CHRNB2 (0.69) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
SCHEMBL13354073 0.77 CHRNB2 (0.79) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
SCHEMBL2496168 0.77 CHRNB2 (0.78) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
SCHEMBL14303747 0.77 CHRNB2 (0.78) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
SCHEMBL6584728 0.77 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1
SCHEMBL14311703 0.77 CHRNB2 (0.78) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1

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 12 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
EP-2342192-A2 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF Psychogenics Inc. (US) 2011-07-13 EP 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
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 12/4885CHRNA4 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.