SCHEMBL2065859

SCHEMBL2065859

CC(C)(C)OC(=O)N1CC2CN(c3cncc(Br)c3)CC2C1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.48
CHRNB4 P30926 4/20 0.48
CHRNA3 P32297 4/20 0.48
CHRNA4 P43681 4/20 0.48
GPR119 Q8TDV5 8/20 0.46
NR1H2 P55055 1/20 0.42
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
USP30 Q70CQ3 1/20 0.40
PDE10A Q9Y233 2/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 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
SCHEMBL2065863 1.00 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA3CHRNA4GPR119
SCHEMBL653668 0.86 GPR119 (0.46) GPR119NR1H2PDE10AHDAC1HDAC2
SCHEMBL653669 0.86 GPR119 (0.46) GPR119NR1H2PDE10AHDAC1HDAC2
SCHEMBL652015 0.85 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA3CHRNA4GPR119
SCHEMBL652300 0.85 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA3CHRNA4GPR119
SCHEMBL4120182 0.85 CHRNB2 (0.45) CHRNB2CHRNB4CHRNA3CHRNA4GPR119
SCHEMBL4120180 0.85 CHRNB2 (0.45) CHRNB2CHRNB4CHRNA3CHRNA4GPR119
SCHEMBL15015937 0.85 CHRNB2 (0.45) CHRNB2CHRNB4CHRNA3CHRNA4GPR119
SCHEMBL650344 0.84 CHRNB2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA4GPR119
SCHEMBL650343 0.84 CHRNB2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA4GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CHRNB2 4/4885CHRNB4 2/4885CHRNA3 9/4885
US-20090281118-A1 Selective Ligands for the Neuronal Nicotinic Receptors and Uses Thereof CHRNA4, CHRNB4, CHRNA2 CHRNB2 4/4885CHRNB4 2/4885CHRNA3 7/4885

“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.