SCHEMBL2065334

SCHEMBL2065334

Cc1ccccc1CNC(=O)c1cncc(N2CC3CCN(C(=O)OC(C)(C)C)C3C2)n1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 4/20 0.44
SCN2A Q99250 3/20 0.44
NAMPT P43490 1/20 0.40

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
SCHEMBL2065335 1.00 SCN10A (0.44) SCN10ASCN2ANAMPT
SCHEMBL2065970 0.87 SCN10A (0.48) SCN10ASCN2A
SCHEMBL2065971 0.87 SCN10A (0.48) SCN10ASCN2A
SCHEMBL2065411 0.85 SCN10A (0.44) SCN10ASCN2ANAMPT
SCHEMBL2065410 0.85 SCN10A (0.44) SCN10ASCN2ANAMPT
SCHEMBL2064202 0.81 SCN2A (0.43) SCN10ASCN2A
SCHEMBL2064201 0.81 SCN2A (0.43) SCN10ASCN2A
SCHEMBL1135580 0.79 SCN10A (0.53) SCN10ASCN2A
SCHEMBL4542581 0.79 SCN10A (0.50) SCN10ASCN2A
SCHEMBL1135344 0.78 SCN10A (0.48) SCN10ASCN2A

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 SCN10A 152/4885SCN2A 106/4885NAMPT 344/4885
US-20090281118-A1 Selective Ligands for the Neuronal Nicotinic Receptors and Uses Thereof CHRNA4, CHRNB4, CHRNA2 SCN10A 139/4885SCN2A 113/4885NAMPT 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.