SCHEMBL3362157

SCHEMBL3362157

C1CCC(OCCC2CCNCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
TPSAB1 Q15661 2/20 0.36
TPSD1 Q9BZJ3 2/20 0.36
TPSG1 Q9NRR2 2/20 0.36
NFE2L2 Q16236 1/20 0.33
SLC6A4 P31645 2/20 0.32
HRH3 Q9Y5N1 2/20 0.32
ITGB3 P05106 2/20 0.32
ITGA2B P08514 2/20 0.32
NAAA Q02083 1/20 0.31
CYP1A2 P05177 1/20 0.30
GNAO1 P09471 1/20 0.30
RAD52 P43351 1/20 0.30

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
SCHEMBL23267544 0.82 GBA1 (0.34) TPSAB1TPSD1TPSG1SLC6A4HRH3
SCHEMBL8193688 0.81 SPHK1 (0.38) SLC6A4HRH3ITGB3ITGA2B
SCHEMBL11470901 0.81 NPC1 (0.45) NPC1SLC6A4NAAARAD52
Hydrochloric Acid SCHEMBL11471966 0.79 NPC1 (0.43) NPC1SLC6A4NAAAGNAO1
SCHEMBL25565968 0.78 TERT (0.31) GNAO1
SCHEMBL30014770 0.78 HRH3 (0.38) TPSAB1TPSD1TPSG1SLC6A4HRH3
Hydrochloric Acid SCHEMBL7491956 0.78 CTSL (0.43) NPC1TPSAB1TPSD1TPSG1SLC6A4
SCHEMBL7957882 0.75 CYP1A2 (0.44) HRH3CYP1A2GNAO1
SCHEMBL28621353 0.74 MEN1 (0.39) NPC1ITGB3ITGA2B
SCHEMBL12073502 0.74 NPC1 (0.39) NPC1SLC6A4RAD52

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-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

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 NPC1 2567/4885TPSAB1 3133/4885TPSD1 3211/4885
US-20130184313-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF CHRNG, CHRNA5, CHRNA2 NPC1 2567/4885TPSAB1 3133/4885TPSD1 3211/4885

“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.