SCHEMBL1134470

SCHEMBL1134470

c1ccc(COc2cncc(N3C[C@H]4CN(Cc5ccccn5)C[C@H]4C3)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.42
CHRNA4 P43681 2/20 0.42
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 4/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
ALOX12 P18054 1/20 0.42
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
CHRNA7 P36544 2/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
SIGMAR1 Q99720 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
SCHEMBL1134541 0.87 CHRNA7 (0.52) CHRNB2CHRNA4KDM4EALDH1A1HTT
SCHEMBL1134598 0.81 CHRNB2 (0.54) CHRNB2CHRNA4HRH3CHRNA7CHRNB4
SCHEMBL23199754 0.81 CHRNB2 (0.54) CHRNB2CHRNA4HRH3CHRNA7CHRNB4
SCHEMBL23199749 0.78 CHRNB2 (0.67) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL1134480 0.78 CHRNB2 (0.67) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL652089 0.72 GPR119 (0.48) CHRNB2CHRNA4
SCHEMBL652088 0.72 GPR119 (0.48) CHRNB2CHRNA4
SCHEMBL7685793 0.72 CHRNB4 (0.56) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL7687914 0.70 CHRNB2 (0.54) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL7683623 0.70 CHRNB2 (0.44) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3

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
EP-2700639-A1 Selective ligands for the neuronal nicotinic receptors and uses thereof Abbvie Inc. (US) 2014-02-26 EP claimed
EP-2285810-A1 SELECTIVE LIGANDS FOR THE NEURONAL NICOTINIC RECEPTORS AND USES THEREOF Abbott Laboratories (US) 2011-02-23 EP claimed
WO-2009137308-A1 SELECTIVE LIGANDS FOR THE NEURONAL NICOTINIC RECEPTORS AND USES THEREOF ABBOTT LABORATORIES (US) 2009-11-12 WO claimed
US-20090281118-A1 Selective Ligands for the Neuronal Nicotinic Receptors and Uses Thereof ABBOTT LABORATORIES (US) 2009-11-12 US claimed
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
EP-2285810-A1 SELECTIVE LIGANDS FOR THE NEURONAL NICOTINIC RECEPTORS AND USES THEREOF Abbott Laboratories (US) 2011-02-23 EP disclosed
WO-2009137308-A1 SELECTIVE LIGANDS FOR THE NEURONAL NICOTINIC RECEPTORS AND USES THEREOF ABBOTT LABORATORIES (US) 2009-11-12 WO 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 CHRNB2 4/4885CHRNA4 1/4885KDM4E 1622/4885
US-20090281118-A1 Selective Ligands for the Neuronal Nicotinic Receptors and Uses Thereof CHRNA4, CHRNB4, CHRNA2 CHRNB2 4/4885CHRNA4 1/4885KDM4E 2703/4885

“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.