SCHEMBL578567

SCHEMBL578567

CC(C)Oc1cncc(/C=C/C[C@H](C)N(C)C(=O)OC(C)(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.54
CHRNA4 P43681 2/20 0.54
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
AAK1 Q2M2I8 2/20 0.32
AKT1 P31749 1/20 0.31
PPARG P37231 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 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
SCHEMBL7516683 1.00 CHRNB2 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL618865 1.00 CHRNB2 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL2331391 1.00 CHRNB2 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL618864 1.00 CHRNB2 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL3021298 0.88 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL3021300 0.88 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL7097849 0.87 CHRNB2 (0.36) CHRNB2CHRNA4AAK1
SCHEMBL617955 0.85 AAK1 (0.39) CHRNB2CHRNA4AAK1
SCHEMBL617956 0.85 AAK1 (0.39) CHRNB2CHRNA4AAK1
SCHEMBL7170985 0.83 AAK1 (0.33) CHRNB2CHRNA4AAK1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2418201-B1 Polymorph forms of (2S)-(4E)-N-methyl-5-[3-(5-isopropoxypyridin) yl]-4-penten-2-amine p-hydroxybenzoate for the treatment of central nervous system disorders TARGACEPT INC (US) 2014-02-12 EP disclosed
US-20130310425-A1 NOVEL POLYMORPH FORMS OF (2S)-(4E)-N-METHYL-5-[3-(5-ISOPROPOXYPYRIDIN)YL]-4-PENTEN-2-AMINE TARGACEPT, INC. (US) 2013-11-21 US disclosed
US-8461344-B2 Polymorph forms of (2S)-(4E)-N-methyl-5-[3-(5-isopropdxypyridin)yl]-4-penten-2-amine TARGACEPT, INC. (US) 2013-06-11 US disclosed
EP-2418201-A1 Polymorph forms of (2S) - (4E) -N-methyl-5- (3-isopropoxypyridin) yl]-4-penten-2-amine for the treatment of central nervous system disorders Targacept, Inc. (US) 2012-02-15 EP disclosed
US-8017785-B2 Salt forms of (2S)-(4E)-N-methyl-5-[3-(5-isopropoxypyridin)y1]-4-penten 2-amine ASTRAZENECA AB (SE) 2011-09-13 US disclosed
EP-2357174-A1 Salt forms of (2S)-(4E)-N-Methyl-5-[(5-Isopropoxy)pyridin-3-yl]-4-penten-2-amine AstraZeneca AB (SE) 2011-08-17 EP disclosed
US-20100249196-A1 Novel Salt Forms Of (2S)-(4E)-N-Methyl-5-[3-(5-Isopropoxypyridin)yl]-4-Penten 2-Amine ASTRAZENECA AB (SE) 2010-09-30 US disclosed
US-20100048643-A1 Novel Polymorph Forms Of (2S)-(4E)-N-methyl-5-[3-(5-isopropoxypyridin)yl]-4-penten-2-amine TARGACEPT, INC. 2010-02-25 US disclosed
EP-2133337-A1 Salt forms of (2S)-(4E)-N-Methyl-5-[(5-Isopropoxy)pyridin-3-yl]-4-penten-2-amine AstraZeneca AB (SE) 2009-12-16 EP disclosed
EP-2133338-A1 Salt forms of (2S)-(4E)-N-Methyl-5-[(5-Isopropoxy)pyridin-3-yl]-4-penten-2-amine AstraZeneca AB (SE) 2009-12-16 EP disclosed
CN-101528698-A Novel salt forms of (2S)-(4E)-N-methyl-5-[3-(5-isopropoxypyridin)yl]-4-penten-2-amine ASTRAZENECA AB (SE) 2009-09-09 CN disclosed
CN-101472893-A Polymorph forms of (2S)-(4E)-N-methyl-5- (3-isopropoxypyridin) yl]-4-penten-2-amine for the treatment of central nervous system disorders TARGACEPT INC (US) 2009-07-01 CN disclosed
US-20070265314-A1 NOVEL POLYMORPH FORMS OF (2S)-(4E)-N-METHYL-5-[3-(5-ISOPROPOXYPYRIDIN)YL]-4-PENTEN-2-AMINE TARGACEPT, INC. 2007-11-15 US disclosed
US-20030087915-A1 Pharmaceutical compositions and methods for use DULL GARY MAURICE (US) 2003-05-08 US disclosed
US-6492399-B1 SUCH AS N-METHYL-4-(3-(5-NITRO-6-AMINOPYRIDIN)YL)-3-BUTEN-1-AMINE; NICOTINIC CHOLINERGIC RECEPTOR AGONISTS TARGACEPT, INC. 2002-12-10 US disclosed
US-6455554-B1 COMPOUNDS CAPABLE OF AFFECTING NICOTINIC CHOLINERGIC RECEPTORS; TREATOMG CENTRAL NERVOUS SYSTEM DISORDERS TARGACEPT, INC. 2002-09-24 US disclosed
EP-1185514-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE Targacept, Inc. (US) 2002-03-13 EP disclosed
WO-2000075110-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TARGACEPT, INC. (US) 2000-12-14 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 (5 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-20070265314-A1 NOVEL POLYMORPH FORMS OF (2S)-(4E)-N-METHYL-5-[3-(5-ISOPROPOXYPYRIDIN)YL]-4-PENTEN-2-AMINE HTR2B, CYP4B1, HTR3B CHRNB2 98/4885CHRNA4 108/4885CHRNB4 92/4885
US-20030087915-A1 Pharmaceutical compositions and methods for use H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP4B1, HTR3E CHRNB2 227/4885CHRNA4 145/4885CHRNB4 168/4885
US-20130310425-A1 NOVEL POLYMORPH FORMS OF (2S)-(4E)-N-METHYL-5-[3-(5-ISOPROPOXYPYRIDIN)YL]-4-PENTEN-2-AMINE HTR2B, CYP4B1, HTR3B CHRNB2 98/4885CHRNA4 108/4885CHRNB4 92/4885
US-20100249196-A1 Novel Salt Forms Of (2S)-(4E)-N-Methyl-5-[3-(5-Isopropoxypyridin)yl]-4-Penten 2-Amine SLC25A13, SLC25A11, SLC1A2 CHRNB2 1051/4885CHRNA4 787/4885CHRNB4 1583/4885
US-20100048643-A1 Novel Polymorph Forms Of (2S)-(4E)-N-methyl-5-[3-(5-isopropoxypyridin)yl]-4-penten-2-amine HTR2B, CYP4B1, HTR3B CHRNB2 98/4885CHRNA4 108/4885CHRNB4 92/4885

“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.