SCHEMBL968835

SCHEMBL968835

COc1ccc(CCC(=O)Nc2c(C)cc(N3CCOCC3)nc2C)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.61
MCHR1 Q99705 3/20 0.56
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
POLB P06746 1/20 0.52
LMNA P02545 1/20 0.51
FKBP1A P62942 1/20 0.50
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 3/20 0.49
PKM P14618 1/20 0.48
HPGD P15428 2/20 0.47
GAA P10253 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
GLA P06280 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL30796075 1.00 MAPT (0.61) MAPTMCHR1NPC1RAB9APOLB
SCHEMBL30795540 0.90 MAPT (0.56) MAPTMCHR1NPC1RAB9APOLB
SCHEMBL970262 0.90 MAPT (0.56) MAPTMCHR1NPC1RAB9APOLB
SCHEMBL30794894 0.90 LMNA (0.49) MAPTMCHR1NPC1RAB9APOLB
SCHEMBL969579 0.90 LMNA (0.49) MAPTMCHR1NPC1RAB9APOLB
SCHEMBL968586 0.82 NAPEPLD (0.47) MAPTMCHR1NPC1RAB9APOLB
SCHEMBL30796192 0.82 MAPT (0.56) MAPTNPC1RAB9APOLBLMNA
SCHEMBL969430 0.82 MAPT (0.56) MAPTNPC1RAB9APOLBLMNA
SCHEMBL973838 0.80 WNT3A (0.50) MAPTLMNAALDH1A1HPGDGAA
SCHEMBL30795276 0.80 WNT3A (0.52) POLBALDH1A1KDM4EHPGDGAA

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 21 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-20110003811-A1 SUBSITUTED PYRIDINE DERIVATIVES H. LUNDBECK A/S (DK) 2011-01-06 US disclosed
US-7812020-B2 Substituted pyridine derivatives H. LUNDBECK A/S (DK) 2010-10-12 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
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

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 MAPT 1786/4885MCHR1 2703/4885NPC1 539/4885
US-20080318953-A1 Substituted Pyridine Derivatives KCNQ2, KCNQ1, KCNQ5 MAPT 1188/4885MCHR1 3437/4885NPC1 666/4885
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 MAPT 1260/4885MCHR1 443/4885NPC1 402/4885
US-20110003811-A1 SUBSITUTED PYRIDINE DERIVATIVES KCNQ2, KCNQ1, KCNQ5 MAPT 1133/4885MCHR1 2972/4885NPC1 991/4885

“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.