SCHEMBL4956613

SCHEMBL4956613

CC(/C=C\c1cccnc1)CC(C)(C)N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.47
CHRNA4 P43681 2/20 0.47
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
ALOX5 P09917 3/20 0.43
PTGS1 P23219 2/20 0.43
PTGS2 P35354 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA7 P36544 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
CYP2C19 P33261 1/20 0.42
CYP2A6 P11509 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 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
SCHEMBL4956621 1.00 CHRNB2 (0.47) CHRNB2CHRNA4CYP11B1CYP11B2ALOX5
SCHEMBL4057519 0.83 CHRNB2 (0.51) CHRNB2CHRNA4CYP11B1CYP11B2ALOX5
SCHEMBL4057521 0.83 CHRNB2 (0.51) CHRNB2CHRNA4CYP11B1CYP11B2ALOX5
SCHEMBL3017118 0.81 CHRNB2 (0.51) CHRNB2CHRNA4CYP11B1CYP11B2ALOX5
SCHEMBL3017116 0.81 CHRNB2 (0.51) CHRNB2CHRNA4CYP11B1CYP11B2ALOX5
SCHEMBL6450540 0.80 CHRNB2 (0.53) CHRNB2CHRNA4CYP11B1CYP11B2ALOX5
SCHEMBL23640127 0.77 CHRNB2 (0.50) CHRNB2CHRNA4CYP11B1CYP11B2ALOX5
SCHEMBL3023719 0.76 CHRNB2 (0.56) CHRNB2CHRNA4CYP11B1CYP11B2ALOX5
SCHEMBL6268339 0.76 CHRNB2 (0.56) CHRNB2CHRNA4CYP11B1CYP11B2ALOX5
SCHEMBL3023723 0.76 CHRNB2 (0.56) CHRNB2CHRNA4CYP11B1CYP11B2ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020032206-A1 Pharmaceutical compositions for prevention and treatment of central nervous system disorders CALDWELL WILLIAM SCOTT (US) 2002-03-14 US claimed
EP-0900200-A1 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS R.J. REYNOLDS TOBACCO COMPANY (US) 1999-03-10 EP claimed
WO-1997040011-A1 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS R. J. REYNOLDS TOBACCO COMPANY (US) 1997-10-30 WO claimed
EP-1997806-A1 Pahrmaceutical 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 CHRNB2 17/4885CHRNA4 8/4885CYP11B1 223/4885

“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.