SCHEMBL3358717

SCHEMBL3358717

c1cc(CCCCOC[C@H]2C[C@@H]2c2cncc(OC[C@@H]3CCN3)c2)ccn1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 14/20 0.60
CHRNA4 P43681 13/20 0.60
CHRNA6 Q15825 2/20 0.60
CHRNA3 P32297 1/20 0.60
CHRNB3 Q05901 1/20 0.60
AKT1 P31749 2/20 0.51

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
SCHEMBL7918405 0.97 CHRNB2 (0.61) CHRNB2CHRNA4CHRNA6CHRNA3CHRNB3
SCHEMBL3358820 0.94 CHRNB2 (0.62) CHRNB2CHRNA4CHRNA6CHRNA3CHRNB3
SCHEMBL3359029 0.88 CHRNB2 (0.64) CHRNB2CHRNA4CHRNA6CHRNA3CHRNB3
SCHEMBL3360232 0.85 CHRNB2 (0.69) CHRNB2CHRNA4CHRNA6CHRNA3CHRNB3
SCHEMBL3358153 0.84 CHRNB2 (0.58) CHRNB2CHRNA4CHRNA6CHRNA3CHRNB3
SCHEMBL3359091 0.84 CHRNB2 (0.76) CHRNB2CHRNA4CHRNA6CHRNA3CHRNB3
SCHEMBL3361361 0.83 CHRNB2 (0.77) CHRNB2CHRNA4CHRNA6CHRNA3CHRNB3
SCHEMBL7932738 0.83 CHRNB2 (0.77) CHRNB2CHRNA4CHRNA6CHRNA3CHRNB3
SCHEMBL3358258 0.83 CHRNB2 (0.70) CHRNB2CHRNA4CHRNA6CHRNA3CHRNB3
SCHEMBL3361499 0.81 CHRNB2 (0.74) CHRNB2CHRNA4CHRNA6CHRNA3CHRNB3

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 5/4885CHRNA6 8/4885
US-20130184313-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF CHRNG, CHRNA5, CHRNA2 CHRNB2 12/4885CHRNA4 5/4885CHRNA6 8/4885

“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.