SCHEMBL1134582

SCHEMBL1134582

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 1/20 0.50
SCN10A Q9Y5Y9 1/20 0.50
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
ROCK2 O75116 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL1135350 0.84 CHRNB4 (0.57) SCN2ASCN10ACHRNB4CHRNA3
SCHEMBL1134559 0.83 SCN10A (0.49) SCN2ASCN10A
SCHEMBL2065506 0.80 SCN2A (0.44) SCN2ASCN10ACHRNB4CHRNA3
SCHEMBL2065508 0.80 SCN2A (0.44) SCN2ASCN10ACHRNB4CHRNA3
SCHEMBL1134566 0.76 SCN2A (0.51) SCN2ASCN10AALDH1A1HPGDCHRNB4
SCHEMBL1134483 0.74 HTR2A (0.47) CHRNB4CHRNA3HTR2AHTR2CHTR2B
SCHEMBL1134611 0.74 HTR2A (0.47) CHRNB4CHRNA3HTR2AHTR2CHTR2B
SCHEMBL1135560 0.72 CHRNB4 (0.54) CHRNB4CHRNA3ROCK2
SCHEMBL1134467 0.71 SMN1; SMN2 (0.67) SCN2ASCN10AALDH1A1HPGD
SCHEMBL2064737 0.71 CHRNB4 (0.48) SCN2ASCN10AALDH1A1HPGDCHRNB4

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 10 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 claimed
US-8148408-B2 Selective substituted pyridine ligands for neuronal nicotinic receptors ABBOTT LABORATORIES (US) 2012-04-03 US claimed
EP-2285810-A1 SELECTIVE LIGANDS FOR THE NEURONAL NICOTINIC RECEPTORS AND USES THEREOF Abbott Laboratories (US) 2011-02-23 EP claimed
WO-2009137308-A1 SELECTIVE LIGANDS FOR THE NEURONAL NICOTINIC RECEPTORS AND USES THEREOF ABBOTT LABORATORIES (US) 2009-11-12 WO claimed
US-20090281118-A1 Selective Ligands for the Neuronal Nicotinic Receptors and Uses Thereof ABBOTT LABORATORIES (US) 2009-11-12 US claimed
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 152/4885ALDH1A1 1225/4885
US-20090281118-A1 Selective Ligands for the Neuronal Nicotinic Receptors and Uses Thereof CHRNA4, CHRNB4, CHRNA2 SCN2A 113/4885SCN10A 139/4885ALDH1A1 1513/4885

“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.