SCHEMBL4056295

SCHEMBL4056295

COc1cncc(/C=C/CCO)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK2 Q9HBH9 4/20 0.55
ROCK2 O75116 3/20 0.55
MAP4K4 O95819 3/20 0.55
PRKACA P17612 3/20 0.55
ROCK1 Q13464 3/20 0.55
DYRK1A Q13627 3/20 0.55
PKN2 Q16513 3/20 0.55
CLK4 Q9HAZ1 3/20 0.55
STK17A Q9UEE5 3/20 0.55
NTRK3 Q16288 1/20 0.55
CHRNB2 P17787 2/20 0.50
CHRNA4 P43681 2/20 0.50
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNA7 P36544 1/20 0.50
CYP11B1 P15538 3/20 0.37
CYP11B2 P19099 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL4056654 0.84 CHRNB2 (0.70) MKNK2ROCK2MAP4K4PRKACAROCK1
SCHEMBL8675780 0.84 MKNK2 (0.55) MKNK2ROCK2MAP4K4PRKACAROCK1
SCHEMBL4959044 0.84 MKNK2 (0.55) MKNK2ROCK2MAP4K4PRKACAROCK1
SCHEMBL6660327 0.83 CHRNB2 (0.63) MKNK2ROCK2MAP4K4PRKACAROCK1
SCHEMBL4064436 0.81 CHRNB2 (0.74) MKNK2ROCK2MAP4K4PRKACAROCK1
SCHEMBL6662274 0.79 CHRNB2 (0.43) MKNK2ROCK2MAP4K4PRKACAROCK1
SCHEMBL6667220 0.78 CYP11B2 (0.40) MKNK2ROCK2MAP4K4PRKACAROCK1
SCHEMBL3017868 0.78 CHRNB2 (0.53) MKNK2ROCK2MAP4K4PRKACAROCK1
SCHEMBL3017873 0.78 CHRNB2 (0.53) MKNK2ROCK2MAP4K4PRKACAROCK1
SCHEMBL7071081 0.76 ROCK2 (0.50) MKNK2ROCK2MAP4K4PRKACAROCK1

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
EP-0900200-B9 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS TARGACEPT INC (US) 2009-10-21 EP disclosed
EP-1997806-A1 Pahrmaceutical compositions for prevention and treatment of central nervous system disorders Targacept, Inc. (US) 2008-12-03 EP disclosed
EP-0900200-B1 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS TARGACEPT INC (US) 2008-12-03 EP disclosed
US-6603011-B1 Representative compound is (E)-N-methyl-5-(3-pyridinyl)-4-penten-2-amine; the prevention and treatment of CNS disorders which have been attributed to neurotransmitter system dysfunction TARGACEPT, INC. 2003-08-05 US disclosed
US-6555684-B2 A pyridine or pyrimidine derivatives containing primary, secondary or tertiary amine group TARGACEPT, INC. 2003-04-29 US disclosed
US-20020032206-A1 Pharmaceutical compositions for prevention and treatment of central nervous system disorders CALDWELL WILLIAM SCOTT (US) 2002-03-14 US disclosed
EP-0900200-A1 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS R.J. REYNOLDS TOBACCO COMPANY (US) 1999-03-10 EP disclosed
WO-1997040011-A1 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS R. J. REYNOLDS TOBACCO COMPANY (US) 1997-10-30 WO disclosed
US-5616716-A (3-(5-ethoxypyridin)yl)-alkenyl 1 amine compounds TARGACEPT, INC. 1997-04-01 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 (1 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-20020032206-A1 Pharmaceutical compositions for prevention and treatment of central nervous system disorders PMP22, AANAT, CHAT MKNK2 2535/4885ROCK2 4523/4885MAP4K4 1533/4885

“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.