SCHEMBL4956444

SCHEMBL4956444

CNC(C)CCCCc1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
HRH1 P35367 2/20 0.53
CYP2A6 P11509 1/20 0.51
TBXAS1 P24557 7/20 0.49
PTAFR P25105 4/20 0.47
CHRNA7 P36544 2/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46

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
SCHEMBL4958679 0.95 TDP1 (0.56) TDP1L3MBTL1HRH1CYP2A6PTAFR
SCHEMBL7760926 0.82 TDP1 (0.64) TDP1L3MBTL1HRH1CYP2A6TBXAS1
SCHEMBL4958248 0.81 TDP1 (0.62) TDP1L3MBTL1HRH1CYP2A6TBXAS1
SCHEMBL5879435 0.81 TDP1 (0.57) TDP1L3MBTL1HRH1CYP2A6TBXAS1
SCHEMBL1741942 0.79 TDP1 (0.60) TDP1L3MBTL1HRH1CYP2A6TBXAS1
SCHEMBL29485675 0.79 TDP1 (0.80) TDP1L3MBTL1HRH1CYP2A6TBXAS1
SCHEMBL724788 0.79 TDP1 (0.80) TDP1L3MBTL1HRH1CYP2A6TBXAS1
SCHEMBL12606607 0.78 TAAR1 (0.60) TBXAS1CHRNB2CHRNA4
SCHEMBL12197971 0.78 TDP1 (0.62) TDP1L3MBTL1HRH1CYP2A6TBXAS1
Hydrochloric Acid SCHEMBL1740801 0.78 TDP1 (0.58) TDP1L3MBTL1HRH1CYP2A6TBXAS1

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 TDP1 1227/4885L3MBTL1 4001/4885HRH1 330/4885

“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.