SCHEMBL344205

SCHEMBL344205

C(=C[C@H]1CCNC1)c1cncc(OC2CCOCC2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHUK O15111 1/20 0.55
DYRK3 O43781 1/20 0.55
ROCK2 O75116 1/20 0.55
MAP4K4 O95819 1/20 0.55
PIM1 P11309 1/20 0.55
PRKACA P17612 1/20 0.55
RPS6KB1 P23443 1/20 0.55
AKT1 P31749 1/20 0.55
CLK2 P49760 1/20 0.55
PRKX P51817 1/20 0.55
PRKG2 Q13237 1/20 0.55
ROCK1 Q13464 1/20 0.55
DYRK1A Q13627 1/20 0.55
PRKG1 Q13976 1/20 0.55
PKN2 Q16513 1/20 0.55
CLK4 Q9HAZ1 1/20 0.55
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41
PRKCZ Q05513 1/20 0.37
IKBKB O14920 1/20 0.35

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
SCHEMBL345997 1.00 CHUK (0.55) CHUKDYRK3ROCK2MAP4K4PIM1
SCHEMBL344204 1.00 CHUK (0.55) CHUKDYRK3ROCK2MAP4K4PIM1
SCHEMBL345912 1.00 CHUK (0.55) CHUKDYRK3ROCK2MAP4K4PIM1
SCHEMBL345913 1.00 CHUK (0.55) CHUKDYRK3ROCK2MAP4K4PIM1
SCHEMBL344203 1.00 CHUK (0.55) CHUKDYRK3ROCK2MAP4K4PIM1
SCHEMBL344202 1.00 CHUK (0.55) CHUKDYRK3ROCK2MAP4K4PIM1
Oxalic Acid SCHEMBL344215 0.94 DYRK1A (0.49) CHUKDYRK3ROCK2MAP4K4PIM1
Oxalic Acid SCHEMBL344214 0.94 DYRK1A (0.49) CHUKDYRK3ROCK2MAP4K4PIM1
Oxalic Acid SCHEMBL344212 0.94 DYRK1A (0.49) CHUKDYRK3ROCK2MAP4K4PIM1
Oxalic Acid SCHEMBL345220 0.94 DYRK1A (0.49) CHUKDYRK3ROCK2MAP4K4PIM1

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2896619-A1 Salt forms of (R)-3-(E)-2-(PYRROLIDIN-3-YL)VINYL)-5-(TETRAHYDROPYRAN-4-YLOXY)PYRIDINE AND their USE Targacept, Inc. (US) 2015-07-22 EP claimed
US-20140107163-A1 SYNTHESIS AND NOVEL SALT FORMS OF (R)-3-((E)-2-(PYRROLIDIN-3-YL)VINYL)-5-(TETRAHYDROPYRAN-4-YLOXY)PYRIDINE Targecept, Inc. (US) 2014-04-17 US claimed
US-8633227-B2 Synthesis and novel salt forms of (R)-3-((E)-pyrrolidin-3-yl)vinyl)-5-tetrahydropyran-4-yloxy)pyridine TARGACEPT, INC. (US) 2014-01-21 US claimed
US-20120015983-A1 Synthesis and Novel Salt Forms of (R)-3-((E)-pyrrolidin-3-yl)vinyl)-5-tetrahydropyran-4-yloxy)pyridine TARGACEPT, INC. (US) 2012-01-19 US claimed
EP-2358705-A1 (R) -3- (E) -2- (PYRR0LIDIN-3-YL) VINYL) -5- (TETRAHYDR0PYRAN-4-YL0XY) PYRIDINE, ITS SALTS, ITS SYNTHESIS AND ITS USE AS LIGAND FOR NICOTINIC ACETYLCHOLINERGIC RECEPTORS Targacept Inc. (US) 2011-08-24 EP claimed
WO-2010065449-A1 (R) -3- (E) -2- (PYRR0LIDIN-3-YL) VINYL) -5- (TETRAHYDR0PYRAN-4-YL0XY) PYRIDINE, ITS SALTS, ITS SYNTHESIS AND ITS USE AS LIGAND FOR NICOTINIC ACETYLCHOLINERGIC RECEPTORS TARGACEPT, INC. (US) 2010-06-10 WO claimed
EP-2896619-A1 Salt forms of (R)-3-(E)-2-(PYRROLIDIN-3-YL)VINYL)-5-(TETRAHYDROPYRAN-4-YLOXY)PYRIDINE AND their USE Targacept, Inc. (US) 2015-07-22 EP disclosed
EP-2896619-A1 Salt forms of (R)-3-(E)-2-(PYRROLIDIN-3-YL)VINYL)-5-(TETRAHYDROPYRAN-4-YLOXY)PYRIDINE AND their USE Targacept, Inc. (US) 2015-07-22 EP disclosed
EP-2896619-A1 Salt forms of (R)-3-(E)-2-(PYRROLIDIN-3-YL)VINYL)-5-(TETRAHYDROPYRAN-4-YLOXY)PYRIDINE AND their USE Targacept, Inc. (US) 2015-07-22 EP disclosed
CN-102232072-B (R)-3-(E)-2-(pyrr0lidin-3-yl) vinyl)-5-(tetrahydr0pyran-4-yl0xy) pyridine, its salts, its synthesis and its use as ligand for nicotinic acetylcholinergic receptors TARGACEPT INC 2014-09-24 CN disclosed
US-20140107163-A1 SYNTHESIS AND NOVEL SALT FORMS OF (R)-3-((E)-2-(PYRROLIDIN-3-YL)VINYL)-5-(TETRAHYDROPYRAN-4-YLOXY)PYRIDINE Targecept, Inc. (US) 2014-04-17 US disclosed
US-20140107163-A1 SYNTHESIS AND NOVEL SALT FORMS OF (R)-3-((E)-2-(PYRROLIDIN-3-YL)VINYL)-5-(TETRAHYDROPYRAN-4-YLOXY)PYRIDINE Targecept, Inc. (US) 2014-04-17 US disclosed
US-20140107163-A1 SYNTHESIS AND NOVEL SALT FORMS OF (R)-3-((E)-2-(PYRROLIDIN-3-YL)VINYL)-5-(TETRAHYDROPYRAN-4-YLOXY)PYRIDINE Targecept, Inc. (US) 2014-04-17 US disclosed
EP-2358670-A2 Novel compounds Targacept Inc. (US) 2011-08-24 EP disclosed
EP-2358705-A1 (R) -3- (E) -2- (PYRR0LIDIN-3-YL) VINYL) -5- (TETRAHYDR0PYRAN-4-YL0XY) PYRIDINE, ITS SALTS, ITS SYNTHESIS AND ITS USE AS LIGAND FOR NICOTINIC ACETYLCHOLINERGIC RECEPTORS Targacept Inc. (US) 2011-08-24 EP disclosed
WO-2010080757-A2 COMBINATIONS WITH AN ALPHA-4BETA-2 NICOTINIC AGONIST ASTRAZENECA AB (SE) 2010-07-15 WO disclosed
WO-2010065449-A1 (R) -3- (E) -2- (PYRR0LIDIN-3-YL) VINYL) -5- (TETRAHYDR0PYRAN-4-YL0XY) PYRIDINE, ITS SALTS, ITS SYNTHESIS AND ITS USE AS LIGAND FOR NICOTINIC ACETYLCHOLINERGIC RECEPTORS TARGACEPT, INC. (US) 2010-06-10 WO disclosed
WO-2010065449-A1 (R) -3- (E) -2- (PYRR0LIDIN-3-YL) VINYL) -5- (TETRAHYDR0PYRAN-4-YL0XY) PYRIDINE, ITS SALTS, ITS SYNTHESIS AND ITS USE AS LIGAND FOR NICOTINIC ACETYLCHOLINERGIC RECEPTORS TARGACEPT, INC. (US) 2010-06-10 WO disclosed
WO-2010065449-A1 (R) -3- (E) -2- (PYRR0LIDIN-3-YL) VINYL) -5- (TETRAHYDR0PYRAN-4-YL0XY) PYRIDINE, ITS SALTS, ITS SYNTHESIS AND ITS USE AS LIGAND FOR NICOTINIC ACETYLCHOLINERGIC RECEPTORS TARGACEPT, INC. (US) 2010-06-10 WO disclosed
WO-2010065447-A2 NOVEL COMPOUNDS TARGACEPT, INC. (US) 2010-06-10 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-20120015983-A1 Synthesis and Novel Salt Forms of (R)-3-((E)-pyrrolidin-3-yl)vinyl)-5-tetrahydropyran-4-yloxy)pyridine H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, REN, SRMS CHUK 2424/4885DYRK3 336/4885ROCK2 755/4885
US-20140107163-A1 SYNTHESIS AND NOVEL SALT FORMS OF (R)-3-((E)-2-(PYRROLIDIN-3-YL)VINYL)-5-(TETRAHYDROPYRAN-4-YLOXY)PYRIDINE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, REN, SRMS CHUK 2295/4885DYRK3 289/4885ROCK2 678/4885

“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.