SCHEMBL2187692

SCHEMBL2187692

O[C@@H](Cc1ccccc1)Cc1cccc(Br)c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.49
TAAR1 Q96RJ0 4/20 0.46
MAOB P27338 2/20 0.44
IDO1 P14902 2/20 0.44
AGXT P21549 2/20 0.44
PTGES O14684 1/20 0.43
TRPA1 O75762 1/20 0.42
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42
PTGER4 P35408 2/20 0.41
PTGER2 P43116 2/20 0.41

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
SCHEMBL2185725 1.00 SIGMAR1 (0.49) SIGMAR1TAAR1MAOBIDO1AGXT
SCHEMBL13335507 1.00 SIGMAR1 (0.49) SIGMAR1TAAR1MAOBIDO1AGXT
SCHEMBL1732196 0.94 TAAR1 (0.50) SIGMAR1TAAR1MAOBIDO1AGXT
SCHEMBL16238296 0.85 TAAR1 (0.46) SIGMAR1TAAR1MAOBIDO1AGXT
SCHEMBL237706 0.83 TAAR1 (0.44) SIGMAR1TAAR1MAOBIDO1AGXT
SCHEMBL7852354 0.83 TAAR1 (0.53) SIGMAR1TAAR1MAOBIDO1AGXT
SCHEMBL22607932 0.82 FOLH1 (0.45) SIGMAR1PTGESTRPA1PTGER4PTGER2
SCHEMBL22607933 0.82 FOLH1 (0.45) SIGMAR1PTGESTRPA1PTGER4PTGER2
SCHEMBL3416256 0.82 TAAR1 (0.50) SIGMAR1TAAR1MAOBIDO1AGXT
SCHEMBL5982885 0.82 SLC18A3 (0.53) SIGMAR1TRPA1

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 12 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
EP-2342192-A2 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF Psychogenics Inc. (US) 2011-07-13 EP 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
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 SIGMAR1 368/4885TAAR1 58/4885MAOB 325/4885
US-20130184313-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF CHRNG, CHRNA5, CHRNA2 SIGMAR1 368/4885TAAR1 58/4885MAOB 325/4885

“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.