SCHEMBL1831992

SCHEMBL1831992

CN1CCCC1c1cncc(N)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 5/20 0.62
CHRNA3 P32297 5/20 0.62
CHRNA1 P02708 4/20 0.62
CHRNB2 P17787 4/20 0.62
CHRNA4 P43681 4/20 0.62
CHRNA2 Q15822 3/20 0.62
CHRNG P07510 2/20 0.62
CHRNB1 P11230 2/20 0.62
CHRND Q07001 2/20 0.62
ALDH1A1 P00352 2/20 0.56
CHRNA7 P36544 2/20 0.56
LMNA P02545 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
HTR3E A5X5Y0 1/20 0.56
PSIP1 O75475 1/20 0.56
TRPA1 O75762 1/20 0.56
HTR3B O95264 1/20 0.56
MAPT P10636 1/20 0.56
CYP2A6 P11509 1/20 0.56
PTGS1 P23219 1/20 0.56

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
SCHEMBL1831991 1.00 CHRNB4 (0.62) CHRNB4CHRNA3CHRNA1CHRNB2CHRNA4
SCHEMBL159159 0.82 CHRNB4 (0.64) CHRNB4CHRNA3CHRNA1CHRNB2CHRNA4
SCHEMBL30866535 0.82 CHRNB4 (0.64) CHRNB4CHRNA3CHRNA1CHRNB2CHRNA4
SCHEMBL31019621 0.82 CHRNB4 (0.64) CHRNB4CHRNA3CHRNA1CHRNB2CHRNA4
SCHEMBL159158 0.82 CHRNB4 (0.64) CHRNB4CHRNA3CHRNA1CHRNB2CHRNA4
SCHEMBL27711151 0.81 CHRNB4 (0.59) CHRNB4CHRNA3CHRNA1CHRNB2CHRNA4
SCHEMBL3452963 0.81 CHRNB4 (0.62) CHRNB4CHRNA3CHRNA1CHRNB2CHRNA4
SCHEMBL1538368 0.81 CHRNB4 (0.62) CHRNB4CHRNA3CHRNA1CHRNB2CHRNA4
SCHEMBL3059326 0.81 CHRNB2 (0.62) CHRNB4CHRNA3CHRNA1CHRNB2CHRNA4
SCHEMBL3058805 0.81 CHRNB2 (0.62) CHRNB4CHRNA3CHRNA1CHRNB2CHRNA4

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7452541-B2 Hapten-carrier conjugates and uses thereof CYTOS BIOTECHNOLOGY AG (CH) 2008-11-18 US claimed
US-6932971-B2 Hapten-carrier conjugates and uses thereof CYTOS BIOTECHNOLOGY AG (CH) 2005-08-23 US claimed
US-8232072-B2 Smoking cessation kit and method NABI BIOPHARMACEUTICALS (US) 2012-07-31 US disclosed
US-20110182918-A1 Personalized drug treatment and smoking cessation kit and method NABI BIOPHARMACEUTICALS 2011-07-28 US disclosed
EP-2320898-A2 SMOKING CESSATION KIT AND METHOD Nabi Biopharmaceuticals (US) 2011-05-18 EP disclosed
US-20100040638-A1 SMOKING CESSATION KIT AND METHOD NABI BIOPHARMACEUTICALS 2010-02-18 US disclosed
WO-2009152164-A2 SMOKING CESSATION KIT AND METHOD NABI BIOPHARMACEUTICALS (US) 2009-12-17 WO disclosed
EP-0801527-B1 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS TARGACEPT INC (US) 2006-07-26 EP disclosed
EP-0873050-B1 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF ULCERATIVE COLITIS TARGACEPT INC (US) 2004-03-10 EP disclosed
US-6656469-B1 Treatment of nicotine dependence from tobacco products INDEPENDENT PHARMACEUTICA AB (SE) 2003-12-02 US disclosed
EP-0801527-A4 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS REYNOLDS TOBACCO CO R (US) 2001-09-05 EP disclosed
US-5726316-A PYRIDINYL DERIVATIVES WITH 3-BUTENE-1-AMINE TARGACEPT, INC. 1998-03-10 US disclosed
EP-0801646-A1 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS R.J. REYNOLDS TOBACCO COMPANY (US) 1997-10-22 EP disclosed
EP-0801527-A1 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS R.J. REYNOLDS TOBACCO COMPANY (US) 1997-10-22 EP disclosed
US-5616707-A N-METHYL-4-PYRIDYL-3-BUT(ENE OR YNE)-1-AMINE TARGACEPT, INC. 1997-04-01 US disclosed
US-5604231-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS, DOPAMINERGIC AGENTS; SIDE EFFECT REDUCTION TARGACEPT, INC. 1997-02-18 US disclosed
US-5597919-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS RESULTING FROM NEUROTRANSMITTER DYSFUNCTION TARGACEPT, INC., A CORPORATION OF DELAWARE 1997-01-28 US disclosed
WO-1996020929-A1 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS R.J. REYNOLDS TOBACCO COMPANY (US) 1996-07-11 WO disclosed
WO-1996020599-A1 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF ULCERATIVE COLITIS R.J. REYNOLDS TOBACCO COMPANY (US) 1996-07-11 WO disclosed
WO-1996020600-A1 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS R.J. REYNOLDS TOBACCO COMPANY (US) 1996-07-11 WO disclosed