SCHEMBL2961213

SCHEMBL2961213

CN1CC2CC1CN(c1cncc(-c3ccccc3)c1)C2

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 4/20 0.60
CHRNA3 P32297 4/20 0.60
CHRNA7 P36544 3/20 0.43
KCNH2 Q12809 3/20 0.43
CHRNB1 P11230 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB3 Q05901 1/20 0.38

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
SCHEMBL4006470 0.84 HRH3 (0.44) CHRNB4CHRNA3KCNH2CHRNB2
SCHEMBL2952778 0.82 CHRNB2 (0.46) CHRNB4CHRNA3CHRNA7CHRNB2CHRNB3
SCHEMBL2963539 0.80 CHRNB4 (0.68) CHRNB4CHRNA3CHRNA7CHRNB2
SCHEMBL2963531 0.80 CHRNB4 (0.48) CHRNB4CHRNA3CHRNB2
SCHEMBL4013764 0.79 CHRNB4 (0.46) CHRNB4CHRNA3CHRNB2
SCHEMBL4013740 0.79 CHRNB4 (0.46) CHRNB4CHRNA3CHRNB2
SCHEMBL7527065 0.77 CHRNB4 (0.64) CHRNB4CHRNA3CHRNA7CHRNB2
SCHEMBL4007838 0.77 CHRNB4 (0.44) CHRNB4CHRNA3CHRNB2
SCHEMBL13768179 0.77 CHRNB4 (0.48) CHRNB4CHRNA3
SCHEMBL2953554 0.77 CHRNB4 (0.50) CHRNB4CHRNA3CHRNA7KCNH2CHRNB2

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
WO-2009081246-A2 BICYCLIC DIAMINES AS NICOTINIC RECEPTOR AGONISTS PFIZER INC. (US) 2009-07-02 WO claimed
US-20060160835-A1 Methods and compositions for treatment of central nervous system disorders BENCHERIF MEROUANE 2006-07-20 US claimed
US-7067261-B2 Methods and compositions for treatment of central nervous system disorders TARGACEPT, INC. (US) 2006-06-27 US claimed
US-RE41439-E1 Pharmaceutical compositions and methods for use TARGACEPT, INC. (US) 2010-07-13 US disclosed
WO-2009081246-A2 BICYCLIC DIAMINES AS NICOTINIC RECEPTOR AGONISTS PFIZER INC. (US) 2009-07-02 WO disclosed
US-20060160835-A1 Methods and compositions for treatment of central nervous system disorders BENCHERIF MEROUANE 2006-07-20 US disclosed
US-7067261-B2 Methods and compositions for treatment of central nervous system disorders TARGACEPT, INC. (US) 2006-06-27 US disclosed
EP-1289996-B1 HETEROARYLDIAZABICYCLOALKANES AS NICOTINIC CHOLINERGIC RECEPTOR LIGANDS TARGACEPT INC (US) 2005-04-06 EP disclosed
US-6852721-B2 Pharmaceutical compositions and methods for use TARGACEPT, INC. (US) 2005-02-08 US disclosed
US-20020013309-A1 Pharmaceutical compositions and methods for use TARGACEPT, INC. 2002-01-31 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 (2 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-20060160835-A1 Methods and compositions for treatment of central nervous system disorders JAK2, ERBB2, ERBB3 CHRNB4 38/4885CHRNA3 25/4885CHRNA7 46/4885
US-20020013309-A1 Pharmaceutical compositions and methods for use CYP2D6, CYP3A5, CYP2B6 CHRNB4 519/4885CHRNA3 387/4885CHRNA7 567/4885

“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.