SCHEMBL3358335

SCHEMBL3358335

Cc1ncc(-c2cccc(CCCO)c2)cc1OC[C@@H]1CCN1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 16/20 0.55
CHRNA2 Q15822 12/20 0.55
CHRNA4 P43681 10/20 0.54
CHRNA3 P32297 6/20 0.54
CHRNB4 P30926 5/20 0.54
AXL P30530 1/20 0.42
MERTK Q12866 1/20 0.42

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
SCHEMBL3361960 0.83 CHRNB2 (0.47) CHRNB2CHRNA2CHRNA4CHRNA3CHRNB4
SCHEMBL3362029 0.82 CHRNB2 (0.44) CHRNB2CHRNA2CHRNA4CHRNA3CHRNB4
SCHEMBL2185930 0.81 CHRNB2 (0.66) CHRNB2CHRNA2CHRNA4CHRNA3CHRNB4
SCHEMBL2190662 0.81 CHRNB2 (0.66) CHRNB2CHRNA2CHRNA4CHRNA3CHRNB4
SCHEMBL13307470 0.81 CHRNB2 (0.66) CHRNB2CHRNA2CHRNA4CHRNA3CHRNB4
Hydrochloric Acid SCHEMBL2187603 0.80 CHRNB2 (0.65) CHRNB2CHRNA2CHRNA4CHRNA3CHRNB4
SCHEMBL7924166 0.78 CHRNB2 (0.65) CHRNB2CHRNA2CHRNA4CHRNA3CHRNB4
SCHEMBL3361434 0.77 CHRNB2 (0.46) CHRNB2CHRNA2CHRNA4CHRNA3CHRNB4
SCHEMBL7927844 0.76 CHRNB2 (0.61) CHRNB2CHRNA2CHRNA4CHRNA3CHRNB4
SCHEMBL13307513 0.75 CHRNB2 (0.56) CHRNB2CHRNA4CHRNA3CHRNB4

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 12/4885CHRNA2 3/4885CHRNA4 5/4885
US-20130184313-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF CHRNG, CHRNA5, CHRNA2 CHRNB2 12/4885CHRNA2 3/4885CHRNA4 5/4885

“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.