SCHEMBL3362152

SCHEMBL3362152

c1cncc(OCC[C@H]2C[C@@H]2c2cncc(OC[C@@H]3CCN3)c2)c1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 13/20 0.72
CHRNA4 P43681 13/20 0.72
CHRNA3 P32297 3/20 0.72
CHRNB3 Q05901 1/20 0.72
CHRNA6 Q15825 1/20 0.72
CHRNA7 P36544 2/20 0.65
CHRNA1 P02708 1/20 0.65
CHRNG P07510 1/20 0.65
CHRNB1 P11230 1/20 0.65
CHRNB4 P30926 1/20 0.65
CHRND Q07001 1/20 0.65

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
SCHEMBL3360460 0.92 CHRNB2 (0.74) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL3358318 0.91 CHRNB2 (0.70) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL3361499 0.89 CHRNB2 (0.74) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL3361437 0.87 CHRNB2 (0.66) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL3361370 0.86 CHRNB2 (0.69) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL3357133 0.86 CHRNB2 (0.69) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL3356404 0.85 CHRNB2 (0.78) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL3356326 0.85 CHRNB2 (0.75) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL3357582 0.85 CHRNB2 (0.72) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL3359163 0.84 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6

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-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 12/4885CHRNA4 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.