SCHEMBL4960033

SCHEMBL4960033

CC(CCCN)Cc1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.57
HRH1 P35367 2/20 0.54
CHRNA7 P36544 2/20 0.51
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
FDPS P14324 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CHRNB2 P17787 3/20 0.42
CHRNA4 P43681 3/20 0.42
TBXAS1 P24557 2/20 0.41
CYP1A2 P05177 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
SCHEMBL4960243 0.90 CHRNA7 (0.55) CYP2A6HRH1CHRNA7CYP3A4CYP2D6
SCHEMBL18896391 0.84 TDP1 (0.60) CYP2A6CHRNA7CYP2D6FDPSTDP1
SCHEMBL7288023 0.83 CHRNA7 (0.53) CYP2A6HRH1CHRNA7CYP3A4CYP2D6
SCHEMBL19737206 0.83 CHRNA7 (0.53) CYP2A6HRH1CHRNA7CYP3A4CYP2D6
SCHEMBL19334178 0.83 TDP1 (0.58) HRH1FDPSTDP1L3MBTL1CHRNB2
SCHEMBL4959182 0.82 FDPS (0.45) CYP2A6HRH1CHRNA7CYP3A4CYP2D6
SCHEMBL18934268 0.81 TDP1 (0.51) CHRNA7CYP2D6FDPSTDP1L3MBTL1
SCHEMBL4957549 0.81 CYP2D6 (0.44) CHRNA7CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL19628486 0.79 TAAR1 (0.52) CYP2A6HRH1CYP2D6SLC6A2SLC6A4
SCHEMBL8217779 0.78 CHRNB2 (0.50) CHRNA7CYP2D6FDPSTDP1L3MBTL1

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 8 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
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 CYP2A6 172/4885HRH1 330/4885CHRNA7 13/4885

“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.