SCHEMBL2065508

SCHEMBL2065508

Cc1ccccc1CNC(=O)c1cncc(N2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 1/20 0.44
SCN10A Q9Y5Y9 1/20 0.44
NAMPT P43490 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
MEN1 O00255 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 1/20 0.40
LMNA P02545 1/20 0.40
EPHX2 P34913 1/20 0.40
THRB P10828 2/20 0.40
ACHE P22303 1/20 0.39
GSK3B P49841 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 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
SCHEMBL2065506 1.00 SCN2A (0.44) SCN2ASCN10ANAMPTTDP1KDM4E
SCHEMBL2064735 0.88 CHRNB4 (0.48) SCN2ASCN10ANAMPTKDM4EPKM
SCHEMBL2064737 0.88 CHRNB4 (0.48) SCN2ASCN10ANAMPTKDM4EPKM
SCHEMBL2065410 0.86 SCN10A (0.44) SCN2ASCN10ANAMPTTDP1KDM4E
SCHEMBL2065411 0.86 SCN10A (0.44) SCN2ASCN10ANAMPTTDP1KDM4E
SCHEMBL1134582 0.80 SCN2A (0.50) SCN2ASCN10ACHRNB4CHRNA3
SCHEMBL2065268 0.78 USP30 (0.45) GPR119MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL2065041 0.78 USP30 (0.45) GPR119MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL2065039 0.78 USP30 (0.45) GPR119MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL2065904 0.78 CHRNB4 (0.47) LMNACHRNB4CHRNA3

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 152/4885NAMPT 344/4885
US-20090281118-A1 Selective Ligands for the Neuronal Nicotinic Receptors and Uses Thereof CHRNA4, CHRNB4, CHRNA2 SCN2A 113/4885SCN10A 139/4885NAMPT 357/4885

“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.