SCHEMBL2065472

SCHEMBL2065472

COc1cc(NC(=O)c2cncc(N3C[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]4C3)n2)cc(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 1/20 0.46
SCN10A Q9Y5Y9 1/20 0.46
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
TP53 P04637 1/20 0.41
GPR119 Q8TDV5 1/20 0.40
STAT1 P42224 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDE10A Q9Y233 2/20 0.38
ATF1 P18846 1/20 0.38
NFKB1 P19838 1/20 0.38

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
SCHEMBL2065471 1.00 SCN2A (0.46) SCN2ASCN10ACHRNB4CHRNA3TP53
SCHEMBL2064240 0.89 SCN10A (0.43) SCN2ASCN10AGPR119MEN1MAPT
SCHEMBL2064242 0.89 SCN10A (0.43) SCN2ASCN10AGPR119MEN1MAPT
SCHEMBL2065034 0.88 HDAC1 (0.42) GPR119MEN1MAPTTSHRKMT2A
SCHEMBL2065033 0.88 HDAC1 (0.42) GPR119MEN1MAPTTSHRKMT2A
SCHEMBL2064506 0.85 SCN2A (0.47) SCN2ASCN10ACHRNB4CHRNA3PDE10A
SCHEMBL2064507 0.85 SCN2A (0.47) SCN2ASCN10ACHRNB4CHRNA3PDE10A
SCHEMBL2064720 0.85 NR3C1 (0.46) TP53GPR119MEN1MAPTTSHR
SCHEMBL2064718 0.85 NR3C1 (0.46) TP53GPR119MEN1MAPTTSHR
SCHEMBL2065436 0.84 SCN2A (0.47) SCN2ASCN10AGPR119MEN1MAPT

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 SCN2A 106/4885SCN10A 152/4885CHRNB4 2/4885
US-20090281118-A1 Selective Ligands for the Neuronal Nicotinic Receptors and Uses Thereof CHRNA4, CHRNB4, CHRNA2 SCN2A 113/4885SCN10A 139/4885CHRNB4 2/4885

“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.