SCHEMBL2065486

SCHEMBL2065486

CC(C)(C)OC(=O)N1CC[C@H]2CN(c3cncc(C(=O)Nc4cc(F)cc(F)c4)c3)C[C@H]21

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 11/20 0.47
CHRNA3 P32297 11/20 0.47
CHRNB2 P17787 2/20 0.46
CHRNA4 P43681 2/20 0.46
USP30 Q70CQ3 1/20 0.41

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
SCHEMBL2065484 1.00 CHRNB4 (0.47) CHRNB4CHRNA3CHRNB2CHRNA4USP30
SCHEMBL2066830 0.86 CHRNB4 (0.50) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL2066832 0.86 CHRNB4 (0.50) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL2065041 0.83 USP30 (0.45) CHRNB4CHRNA3CHRNB2CHRNA4USP30
SCHEMBL2065039 0.83 USP30 (0.45) CHRNB4CHRNA3CHRNB2CHRNA4USP30
SCHEMBL2065268 0.83 USP30 (0.45) CHRNB4CHRNA3CHRNB2CHRNA4USP30
SCHEMBL652009 0.80 GPR119 (0.45) CHRNB4CHRNA3CHRNB2CHRNA4USP30
SCHEMBL650034 0.79 GPR119 (0.43) CHRNB4CHRNA3CHRNB2CHRNA4USP30
SCHEMBL650737 0.79 GPR119 (0.43) CHRNB4CHRNA3CHRNB2CHRNA4USP30
SCHEMBL654584 0.78 CHRNB2 (0.47) CHRNB4CHRNA3CHRNB2CHRNA4USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2700639-A1 Selective ligands for the neuronal nicotinic receptors and uses thereof Abbvie Inc. (US) 2014-02-26 EP disclosed
US-8648084-B2 Selective substituted pyrazine ligands for neuronal nicotinic receptors ABBVIE INC. (US) 2014-02-11 US disclosed
US-20120190692-A1 SELECTIVE SUBSTITUTED PYRIDINE LIGANDS FOR NEURONAL NICOTINIC RECEPTORS ABBVIE INC. 2012-07-26 US disclosed
US-8148408-B2 Selective substituted pyridine ligands for neuronal nicotinic receptors ABBOTT LABORATORIES (US) 2012-04-03 US disclosed
US-20090281118-A1 Selective Ligands for the Neuronal Nicotinic Receptors and Uses Thereof ABBOTT LABORATORIES (US) 2009-11-12 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-20120190692-A1 SELECTIVE SUBSTITUTED PYRIDINE LIGANDS FOR NEURONAL NICOTINIC RECEPTORS CHRNA4, CHRNB4, CHRNA2 CHRNB4 2/4885CHRNA3 9/4885CHRNB2 4/4885
US-20090281118-A1 Selective Ligands for the Neuronal Nicotinic Receptors and Uses Thereof CHRNA4, CHRNB4, CHRNA2 CHRNB4 2/4885CHRNA3 7/4885CHRNB2 4/4885

“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.