SCHEMBL1134536

SCHEMBL1134536

Cc1ccccc1CNC(=O)c1cncc(Cl)n1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 5/20 0.71
SCN2A Q99250 4/20 0.60
CTSA P10619 1/20 0.55
HPGD P15428 3/20 0.54
ALDH1A1 P00352 2/20 0.54
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
HTT P42858 1/20 0.50
GRM5 P41594 1/20 0.50
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
LMNA P02545 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA2B P29275 1/20 0.47
ADORA1 P30542 1/20 0.47
NR3C1 P04150 1/20 0.46

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
SCHEMBL21722895 0.78 CYP1A2 (0.71) SCN10ASCN2AHPGDALDH1A1CYP1A2
SCHEMBL15921102 0.75 GRM5 (0.50) SCN10ASCN2ACTSAHPGDCYP1A2
SCHEMBL5095756 0.74 CTSA (0.58) SCN10ASCN2ACTSAHPGDALDH1A1
SCHEMBL1135580 0.74 SCN10A (0.53) SCN10ASCN2A
SCHEMBL4542581 0.72 SCN10A (0.50) SCN10ASCN2AHPGDALDH1A1
SCHEMBL1568387 0.72 HPGD (0.77) SCN10ASCN2AHPGDALDH1A1HTT
SCHEMBL30780061 0.72 HPGD (0.77) SCN10ASCN2AHPGDALDH1A1HTT
SCHEMBL6355044 0.72 HPGD (0.77) HPGDALDH1A1CYP1A2HTTKDM4E
SCHEMBL6362838 0.72 ALDH1A1 (0.62) SCN10ASCN2AHPGDALDH1A1HTT
SCHEMBL1134467 0.71 SMN1; SMN2 (0.67) SCN10ASCN2AHPGDALDH1A1CYP1A2

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 7 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
EP-2285810-A1 SELECTIVE LIGANDS FOR THE NEURONAL NICOTINIC RECEPTORS AND USES THEREOF Abbott Laboratories (US) 2011-02-23 EP disclosed
WO-2009137308-A1 SELECTIVE LIGANDS FOR THE NEURONAL NICOTINIC RECEPTORS AND USES THEREOF ABBOTT LABORATORIES (US) 2009-11-12 WO 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 106/4885CTSA 4683/4885
US-20090281118-A1 Selective Ligands for the Neuronal Nicotinic Receptors and Uses Thereof CHRNA4, CHRNB4, CHRNA2 SCN10A 139/4885SCN2A 113/4885CTSA 4594/4885

“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.