SCHEMBL2961436

SCHEMBL2961436

Fc1ccc(Oc2cncc(N3CC4CNCC(C4)C3)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 12/20 0.55
CHRNA3 P32297 12/20 0.55
CHRNB2 P17787 11/20 0.55
CHRNA4 P43681 11/20 0.55
CHRNA7 P36544 5/20 0.55
CHRNB3 Q05901 1/20 0.41
CHRNA6 Q15825 1/20 0.41
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL2952658 0.88 CHRNB2 (0.55) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL2962577 0.87 CHRNB2 (0.57) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL5996598 0.83 CHRNB4 (0.67) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL2958908 0.82 CHRNB4 (0.42) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL6188593 0.81 CHRNB4 (0.57) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL2959703 0.81 CHRNB2 (0.47) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL2960572 0.81 CHRNB4 (0.46) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL5371326 0.80 CHRNB2 (0.61) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL2962591 0.80 CHRNB2 (0.57) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL2958296 0.79 CHRNB2 (0.48) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7

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 6 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-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
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 25/4885CHRNB2 17/4885
US-20020013309-A1 Pharmaceutical compositions and methods for use CYP2D6, CYP3A5, CYP2B6 CHRNB4 519/4885CHRNA3 387/4885CHRNB2 359/4885

“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.