SCHEMBL2065475

SCHEMBL2065475

CC(C)(C)OC(=O)N1C[C@@H]2CN(c3cncc(OCc4cc(F)cc(F)c4)n3)C[C@@H]2C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.42
PDE10A Q9Y233 2/20 0.40
AOC3 Q16853 1/20 0.40
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
NR1H2 P55055 1/20 0.36

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
SCHEMBL2065473 1.00 GPR119 (0.42) GPR119PDE10AAOC3ADORA2AADORA2B
SCHEMBL2064801 0.91 GPR119 (0.42) GPR119PDE10AAOC3HCRTR1HCRTR2
SCHEMBL2064799 0.91 GPR119 (0.42) GPR119PDE10AAOC3HCRTR1HCRTR2
SCHEMBL2064787 0.87 PDE10A (0.47) GPR119PDE10A
SCHEMBL2064786 0.87 PDE10A (0.47) GPR119PDE10A
SCHEMBL2065822 0.84 HDAC1 (0.43) GPR119PDE10AAOC3ADORA2AADORA2B
SCHEMBL2065818 0.84 HDAC1 (0.43) GPR119PDE10AAOC3ADORA2AADORA2B
SCHEMBL2065033 0.79 HDAC1 (0.42) GPR119PDE10AHCRTR1HCRTR2HDAC1
SCHEMBL2065034 0.79 HDAC1 (0.42) GPR119PDE10AHCRTR1HCRTR2HDAC1
SCHEMBL1134546 0.78 HTR2A (0.45)

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 GPR119 102/4885PDE10A 2610/4885AOC3 2631/4885
US-20090281118-A1 Selective Ligands for the Neuronal Nicotinic Receptors and Uses Thereof CHRNA4, CHRNB4, CHRNA2 GPR119 76/4885PDE10A 2131/4885AOC3 3143/4885

“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.