SCHEMBL2961432

SCHEMBL2961432

CN1CC2CC(C1)N(c1cncc(Oc3ccc(F)cc3)c1)C2

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 12/20 0.42
CHRNA4 P43681 12/20 0.42
CHRNB4 P30926 10/20 0.42
CHRNA3 P32297 10/20 0.42
CHRNA7 P36544 5/20 0.42
HRH3 Q9Y5N1 3/20 0.37
XDH P47989 1/20 0.34
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
SCN4A P35499 1/20 0.33

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
SCHEMBL2960534 0.89 CHRNB2 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL2963652 0.88 CHRNB2 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL2952359 0.83 CHRNB2 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL26241702 0.82 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL2964040 0.82 CHRNB2 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL2958908 0.79 CHRNB4 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL2958296 0.78 CHRNB2 (0.48) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5987519 0.75 CHRNB2 (0.68) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL2958059 0.75 CHRNB2 (0.68) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL2963672 0.75 CHRNB2 (0.68) CHRNB2CHRNA4CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
WO-2001090109-A9 HETEROARYLDIAZABICYCLOALKANES AS NICOTINIC CHOLINERGIC RECEPTOR LIGANDS TARGACEPT INC (US) 2003-03-27 WO disclosed
EP-1289996-A1 HETEROARYLDIAZABICYCLOALKANES AS NICOTINIC CHOLINERGIC RECEPTOR LIGANDS Targacept, Inc. (US) 2003-03-12 EP disclosed
US-20020013309-A1 Pharmaceutical compositions and methods for use TARGACEPT, INC. 2002-01-31 US disclosed
WO-2001090109-A1 HETEROARYLDIAZABICYCLOALKANES AS NICOTINIC CHOLINERGIC RECEPTOR LIGANDS TARGACEPT, INC. (US) 2001-11-29 WO 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 CHRNB2 17/4885CHRNA4 30/4885CHRNB4 38/4885
US-20020013309-A1 Pharmaceutical compositions and methods for use CYP2D6, CYP3A5, CYP2B6 CHRNB2 359/4885CHRNA4 385/4885CHRNB4 519/4885

“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.