SCHEMBL2065822

SCHEMBL2065822

CC(C)(C)OC(=O)N1CC2CN(c3cncc(OCCc4ccc(F)cc4)n3)CC2C1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
PDE10A Q9Y233 2/20 0.42
GPR119 Q8TDV5 4/20 0.40
HCRTR1 O43613 3/20 0.40
HCRTR2 O43614 3/20 0.40
AOC3 Q16853 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37
ELOVL1 Q9BW60 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
SCHEMBL2065818 1.00 HDAC1 (0.43) HDAC1HDAC2PDE10AGPR119HCRTR1
SCHEMBL2064799 0.92 GPR119 (0.42) HDAC1HDAC2PDE10AGPR119HCRTR1
SCHEMBL2064801 0.92 GPR119 (0.42) HDAC1HDAC2PDE10AGPR119HCRTR1
SCHEMBL2065475 0.84 GPR119 (0.42) HDAC1HDAC2PDE10AGPR119HCRTR1
SCHEMBL2065473 0.84 GPR119 (0.42) HDAC1HDAC2PDE10AGPR119HCRTR1
SCHEMBL2064787 0.82 PDE10A (0.47) PDE10AGPR119CKS1BSKP1SKP2
SCHEMBL2064786 0.82 PDE10A (0.47) PDE10AGPR119CKS1BSKP1SKP2
SCHEMBL2064501 0.79 HDAC1 (0.46) HDAC1HDAC2GPR119AOC3ADORA2A
SCHEMBL2064503 0.79 HDAC1 (0.46) HDAC1HDAC2GPR119AOC3ADORA2A
SCHEMBL2065083 0.74 GPR119 (0.46) PDE10AGPR119HCRTR1HCRTR2CKS1B

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 HDAC1 1446/4885HDAC2 2623/4885PDE10A 2610/4885
US-20090281118-A1 Selective Ligands for the Neuronal Nicotinic Receptors and Uses Thereof CHRNA4, CHRNB4, CHRNA2 HDAC1 1636/4885HDAC2 2823/4885PDE10A 2131/4885

“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.