SCHEMBL3358646

SCHEMBL3358646

Oc1cncc([C@H]2C[C@@H]2COc2cccnc2)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.48
CHRNB2 P17787 10/20 0.46
CHRNA4 P43681 10/20 0.46
CHRNA3 P32297 6/20 0.46
CHRNB4 P30926 5/20 0.46
CHRNA7 P36544 3/20 0.46
CHRNA1 P02708 2/20 0.46
CHRNB1 P11230 2/20 0.46
CHRNG P07510 1/20 0.46
CHRND Q07001 1/20 0.46
CYP2D6 P10635 2/20 0.44
CYP3A4 P08684 2/20 0.44
CHRNB3 Q05901 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
SCHEMBL3358297 0.88 FFAR1 (0.46) FFAR1CHRNB2CHRNA4CHRNA3CHRNB4
SCHEMBL15115458 0.85 FFAR1 (0.48) FFAR1CHRNB2CHRNA4CHRNA3CHRNB4
SCHEMBL3358723 0.83 MAPK1 (0.46) FFAR1CHRNB2CHRNA4CHRNA3CHRNB4
SCHEMBL7930412 0.81 CYP3A4 (0.46) FFAR1CHRNB2CHRNA4CHRNA3CHRNA7
SCHEMBL3358318 0.80 CHRNB2 (0.70) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL3358138 0.77 CHRNB2 (0.36) FFAR1CHRNB2CHRNA4CHRNA3CHRNB4
SCHEMBL3361074 0.75 CHRNB2 (0.38) FFAR1CHRNB2CHRNA4
SCHEMBL3361005 0.74 FFAR1 (0.46) FFAR1CHRNB2CHRNA4CHRNA3CHRNB4
Trifluoroacetic Acid SCHEMBL3358961 0.74 CHRNB2 (0.75) CHRNB2CHRNA4CHRNA3CHRNA7CHRNB3
SCHEMBL13307904 0.73 CHRNB2 (0.45) CHRNB2CHRNA4CHRNA3CHRNB4CHRNB3

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 10 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-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 FFAR1 298/4885CHRNB2 12/4885CHRNA4 5/4885
US-20130184313-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF CHRNG, CHRNA5, CHRNA2 FFAR1 298/4885CHRNB2 12/4885CHRNA4 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.