SCHEMBL3361964

SCHEMBL3361964

c1ccc(COCCCC2CCN(c3cncc(OC[C@@H]4CCCN4)c3)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 13/20 0.63
CHRNA4 P43681 13/20 0.63
CHRNB4 P30926 2/20 0.50
CHRNA3 P32297 2/20 0.50
CHRNA1 P02708 1/20 0.50
CHRNG P07510 1/20 0.50
CHRNB1 P11230 1/20 0.50
CHRND Q07001 1/20 0.50
LTA4H P09960 2/20 0.45

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
SCHEMBL3359290 0.97 CHRNB2 (0.62) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL2185696 0.95 CHRNB2 (0.64) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL3357751 0.95 CHRNB2 (0.64) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL13308487 0.95 CHRNB2 (0.64) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL3358615 0.95 CHRNB2 (0.58) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL3358620 0.95 CHRNB2 (0.58) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL3359062 0.95 CHRNB2 (0.58) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
Hydrochloric Acid SCHEMBL3357235 0.95 CHRNB2 (0.66) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
Hydrochloric Acid SCHEMBL3358752 0.95 CHRNB2 (0.66) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
Hydrochloric Acid SCHEMBL3357196 0.94 CHRNB2 (0.60) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1

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 5/4885CHRNB4 15/4885
US-20130184313-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF CHRNG, CHRNA5, CHRNA2 CHRNB2 12/4885CHRNA4 5/4885CHRNB4 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.