SCHEMBL3357147

SCHEMBL3357147

O=C(Cc1ccccc1)OCC1CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.52
CHRM3 P20309 5/20 0.52
CHRM2 P08172 4/20 0.52
CHRM1 P11229 4/20 0.52
ALDH1A1 P00352 1/20 0.51
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GBA1 P04062 1/20 0.51
PAM P19021 1/20 0.50
TLR7 Q9NYK1 1/20 0.46

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
SCHEMBL14274359 0.89 ALDH1A1 (0.59) MGLLALDH1A1MAPK1L3MBTL1PAM
SCHEMBL3357556 0.85 ALDH1A1 (0.49) MGLLALDH1A1MAPK1L3MBTL1GBA1
SCHEMBL27747826 0.85 CYP19A1 (0.51) CHRM3CHRM2CHRM1TLR7
SCHEMBL2905585 0.84 MGLL (0.55) MGLLALDH1A1MAPK1L3MBTL1PAM
SCHEMBL20628839 0.82 MGLL (0.56) MGLLALDH1A1MAPK1L3MBTL1PAM
SCHEMBL16810279 0.79 CHRM3 (0.50) CHRM3CHRM2CHRM1ALDH1A1
SCHEMBL11563161 0.79 PAM (0.51) MGLLALDH1A1MAPK1L3MBTL1GBA1
SCHEMBL16425300 0.78 MGLL (0.49) MGLLALDH1A1MAPK1L3MBTL1PAM
SCHEMBL27663215 0.78 CHRM3 (0.58) CHRM3CHRM2CHRM1ALDH1A1GBA1
SCHEMBL8908923 0.78 CYP19A1 (0.53) CHRM3ALDH1A1MAPK1L3MBTL1GBA1

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 MGLL 2155/4885CHRM3 17/4885CHRM2 21/4885
US-20130184313-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF CHRNG, CHRNA5, CHRNA2 MGLL 2155/4885CHRM3 17/4885CHRM2 21/4885

“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.