SCHEMBL2064943

SCHEMBL2064943

CC(C)(C)OC(=O)N1C[C@@H]2CN(c3cncc(C(=O)Nc4ccc(Cl)cc4)c3)C[C@@H]2C1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 9/20 0.62
CHRNA3 P32297 9/20 0.62
CHRNB2 P17787 3/20 0.49
CHRNA4 P43681 3/20 0.49
MAPT P10636 2/20 0.47
TP53 P04637 1/20 0.47
THRB P10828 1/20 0.47
NR3C1 P04150 1/20 0.45
MEN1 O00255 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL2064940 1.00 CHRNB4 (0.62) CHRNB4CHRNA3CHRNB2CHRNA4MAPT
SCHEMBL2065557 0.87 CHRNB4 (0.52) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL2065558 0.87 CHRNB4 (0.52) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL2065062 0.87 CHRNB4 (0.49) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL2065064 0.87 CHRNB4 (0.49) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL2066832 0.86 CHRNB4 (0.50) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL2066830 0.86 CHRNB4 (0.50) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL2064746 0.85 CHRNB4 (0.52) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL2064745 0.85 CHRNB4 (0.52) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL2065073 0.85 CHRNB4 (0.65) CHRNB4CHRNA3CHRNB2CHRNA4TP53

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.