SCHEMBL13308392

SCHEMBL13308392

CC(C)(C)OC(=O)N1CC[C@H]1COc1cncc(-c2cc(COC3CCCCO3)no2)c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 14/20 0.48
CHRNA4 P43681 13/20 0.48
CHRNB1 P11230 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNB3 Q05901 1/20 0.38
USP30 Q70CQ3 1/20 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
SCHEMBL3358737 1.00 CHRNB2 (0.48) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL3360313 0.96 CHRNB2 (0.51) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL13335514 0.87 CHRNB2 (0.50) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL7919515 0.86 CHRNB2 (0.56) CHRNB2CHRNA4
SCHEMBL7931559 0.83 CHRNB2 (0.60) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL3361323 0.82 CHRNB2 (0.53) CHRNB2CHRNA4
SCHEMBL3356790 0.82 CHRNB2 (0.52) CHRNB2CHRNA4
SCHEMBL3359021 0.81 CHRNB2 (0.51) CHRNB2CHRNA4
SCHEMBL6587447 0.77 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL7465912 0.76 CHRNB2 (0.57) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3

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 7 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-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 5/4885CHRNB1 11/4885
US-20130184313-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF CHRNG, CHRNA5, CHRNA2 CHRNB2 12/4885CHRNA4 5/4885CHRNB1 11/4885

“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.