SCHEMBL971843

SCHEMBL971843

COc1cc(N2CCOCC2)nc(Cl)c1NC(=O)CC(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 10/20 0.59
KCNQ2 O43526 10/20 0.59
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
AKT1 P31749 5/20 0.44
PIK3CD O00329 3/20 0.42
PIK3CB P42338 3/20 0.42
CYP3A4 P08684 2/20 0.42
PIK3CA P42336 2/20 0.42
KCNQ4 P56696 1/20 0.42
KCNQ5 Q9NR82 1/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
LIPE Q05469 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
SCHEMBL30794774 1.00 KCNQ3 (0.59) KCNQ3KCNQ2MAPTL3MBTL1AKT1
SCHEMBL971475 0.83 KCNQ3 (0.68) KCNQ3KCNQ2MAPTL3MBTL1AKT1
SCHEMBL30796083 0.83 KCNQ3 (0.68) KCNQ3KCNQ2MAPTL3MBTL1AKT1
SCHEMBL30795610 0.83 KCNQ3 (0.46) KCNQ3KCNQ2MAPTL3MBTL1AKT1
SCHEMBL971362 0.83 KCNQ3 (0.46) KCNQ3KCNQ2MAPTL3MBTL1AKT1
SCHEMBL30794550 0.78 KCNQ2 (0.60) KCNQ3KCNQ2MAPTL3MBTL1
SCHEMBL2439684 0.78 KCNQ2 (0.60) KCNQ3KCNQ2MAPTL3MBTL1
SCHEMBL23854549 0.77 KIF18A (0.52) KCNQ3KCNQ2MAPTAKT1PIK3CD
SCHEMBL970263 0.77 KCNQ2 (0.56) KCNQ3KCNQ2MAPTL3MBTL1AKT1
SCHEMBL30824695 0.77 KCNQ2 (0.56) KCNQ3KCNQ2MAPTL3MBTL1AKT1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2298766-B1 Pharmaceutical formulations comrpising a substituted pyridine derivative LUNDBECK & CO AS H (DK) 2013-09-18 EP claimed
US-8299071-B2 Substituted pyridine derivatives H. LUNDBECK A/S (DK) 2012-10-30 US claimed
EP-2298766-A1 Substituted pyridine derivatives H. Lundbeck A/S (DK) 2011-03-23 EP claimed
US-20110003811-A1 SUBSITUTED PYRIDINE DERIVATIVES H. LUNDBECK A/S (DK) 2011-01-06 US claimed
US-7812020-B2 Substituted pyridine derivatives H. LUNDBECK A/S (DK) 2010-10-12 US claimed
US-20100256145-A1 USE OF KCNQ POTASSIUM CHANNEL OPENERS FOR REDUCING SYMPTOMS OF OR TREATING DISORDERS OR CONDITIONS WHEREIN THE DOPAMINERGIC SYSTEM IS DISRUPTED H. LUNDBECK A/S (DK) 2010-10-07 US claimed
US-20080318953-A1 Substituted Pyridine Derivatives H. LUNDBECK A/S (DK) 2008-12-25 US claimed
WO-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2024050389-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-07 WO disclosed
EP-2298766-B1 Pharmaceutical formulations comrpising a substituted pyridine derivative LUNDBECK & CO AS H (DK) 2013-09-18 EP disclosed
EP-2554162-A1 Use of KCNQ-Openers for Treating or Reducing the Symptoms of Schizophrenia H. Lundbeck A/S (DK) 2013-02-06 EP disclosed
US-8299071-B2 Substituted pyridine derivatives H. LUNDBECK A/S (DK) 2012-10-30 US disclosed
US-20100256145-A1 USE OF KCNQ POTASSIUM CHANNEL OPENERS FOR REDUCING SYMPTOMS OF OR TREATING DISORDERS OR CONDITIONS WHEREIN THE DOPAMINERGIC SYSTEM IS DISRUPTED H. LUNDBECK A/S (DK) 2010-10-07 US disclosed
US-20090118285-A1 USE OF KCNQ-OPENERS FOR TREATING OR REDUCING THE SYMPTOMS OF SCHIZOPHRENIA H. LUNDBECK A/S (DK) 2009-05-07 US disclosed
US-20080318953-A1 Substituted Pyridine Derivatives H. LUNDBECK A/S (DK) 2008-12-25 US disclosed
EP-1983974-A1 USE OF KCNQ-OPENERS FOR TREATING OR REDUCING THE SYMPTOMS OF SCHIZOPHRENIA H. Lundbeck A/S (DK) 2008-10-29 EP disclosed
EP-1861394-A1 SUBSTITUTED PYRIDINE DERIVATIVES H.Lundbeck A/S (DK) 2007-12-05 EP disclosed
WO-2007090409-A1 USE OF KCNQ-OPENERS FOR THREATING OR REDUCING THE SYMPTOMS OF SCHIZOPHRENIA H. LUNDBECK A/S (DK) 2007-08-16 WO disclosed
WO-2006092143-A1 SUBSTITUTED PYRIDINE DERIVATIVES H. LUNDBECK A/S (DK) 2006-09-08 WO 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 (4 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-20090118285-A1 USE OF KCNQ-OPENERS FOR TREATING OR REDUCING THE SYMPTOMS OF SCHIZOPHRENIA KCNQ4, KCNQ5, KCNQ1 KCNQ3 4/4885KCNQ2 5/4885MAPT 1786/4885
US-20080318953-A1 Substituted Pyridine Derivatives KCNQ2, KCNQ1, KCNQ5 KCNQ3 5/4885KCNQ2 1/4885MAPT 1188/4885
US-20100256145-A1 USE OF KCNQ POTASSIUM CHANNEL OPENERS FOR REDUCING SYMPTOMS OF OR TREATING DISORDERS OR CONDITIONS WHEREIN THE DOPAMINERGIC SYSTEM IS DISRUPTED KCNQ2, KCNQ4, KCNQ1 KCNQ3 4/4885KCNQ2 1/4885MAPT 1260/4885
US-20110003811-A1 SUBSITUTED PYRIDINE DERIVATIVES KCNQ2, KCNQ1, KCNQ5 KCNQ3 5/4885KCNQ2 1/4885MAPT 1133/4885

“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.