SCHEMBL7927469

SCHEMBL7927469

ICC[C@H]1CC[C@H](Cc2cccnc2)O1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.59
SLC6A4 P31645 3/20 0.59
SLC6A3 Q01959 2/20 0.49
CHRNA7 P36544 3/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44
CYP2A6 P11509 5/20 0.42
CYP3A4 P08684 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
PTAFR P25105 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL7926589 0.87 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3CHRNA7CHRNB2
SCHEMBL15115419 0.87 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3CHRNA7CHRNB2
SCHEMBL13308046 0.80 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3CHRNA7CHRNB2
SCHEMBL7929748 0.79 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3CYP2A6CYP3A4
SCHEMBL9844932 0.75 CHRNA7 (0.49) SLC6A2SLC6A4CHRNA7CHRNB2CHRNA4
SCHEMBL2698459 0.75 SLC6A4 (0.84) SLC6A2SLC6A4SLC6A3CHRNA7CYP2A6
SCHEMBL2697459 0.75 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CHRNA7CYP2A6
SCHEMBL5536195 0.74 SLC6A2 (0.72) SLC6A2SLC6A4SLC6A3CHRNA7KDM4E
SCHEMBL24933229 0.71 CHRNB2 (0.56) CHRNA7CHRNB2CHRNA4KDM4EALDH1A1
SCHEMBL9534698 0.68 CHRNA7 (0.53) CHRNA7CHRNB2CHRNA4KDM4EALDH1A1

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 SLC6A2 268/4885SLC6A4 395/4885SLC6A3 382/4885
US-20130184313-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF CHRNG, CHRNA5, CHRNA2 SLC6A2 268/4885SLC6A4 395/4885SLC6A3 382/4885

“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.