SCHEMBL1134541

SCHEMBL1134541

c1ccc(COc2cncc(N3C[C@H]4CN(Cc5cccnc5)C[C@H]4C3)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.52
TRPV6 Q9H1D0 1/20 0.46
CHRM4 P08173 1/20 0.45
KDM4E B2RXH2 2/20 0.44
GFER P55789 1/20 0.44
CHRNB2 P17787 3/20 0.44
CHRNA4 P43681 3/20 0.44
MAPK1 P28482 2/20 0.44
HRH3 Q9Y5N1 1/20 0.43
S1PR5 Q9H228 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
ALOX12 P18054 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 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
SCHEMBL1134470 0.87 CHRNB2 (0.42) CHRNA7KDM4ECHRNB2CHRNA4HRH3
SCHEMBL23199754 0.82 CHRNB2 (0.54) CHRNA7CHRNB2CHRNA4HRH3CHRNB4
SCHEMBL1134598 0.82 CHRNB2 (0.54) CHRNA7CHRNB2CHRNA4HRH3CHRNB4
SCHEMBL1134480 0.80 CHRNB2 (0.67) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL23199749 0.80 CHRNB2 (0.67) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL652089 0.74 GPR119 (0.48) CHRNB2CHRNA4
SCHEMBL652088 0.74 GPR119 (0.48) CHRNB2CHRNA4
SCHEMBL7685793 0.74 CHRNB4 (0.56) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL29666897 0.73 DRD4 (0.58) KDM4EHRH3ALDH1A1LMNAHPGD
SCHEMBL7687914 0.72 CHRNB2 (0.54) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3

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 9 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
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 CHRNA7 6/4885TRPV6 1593/4885CHRM4 18/4885
US-20090281118-A1 Selective Ligands for the Neuronal Nicotinic Receptors and Uses Thereof CHRNA4, CHRNB4, CHRNA2 CHRNA7 6/4885TRPV6 1330/4885CHRM4 18/4885

“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.