SCHEMBL3095284

SCHEMBL3095284

Cc1cc(N2CCOCC2)nc(C)c1C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.56
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
ALDH1A1 P00352 7/20 0.48
HPGD P15428 5/20 0.48
GAA P10253 4/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KDM4E B2RXH2 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
PKMYT1 Q99640 1/20 0.44
HTT P42858 1/20 0.44
CYP1A2 P05177 3/20 0.44

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
SCHEMBL12099918 0.95 IKBKB (0.52) IKBKBCRHBPCRHR2ALDH1A1HPGD
SCHEMBL13174220 0.87 ALDH1A1 (0.52) IKBKBCRHBPCRHR2ALDH1A1HPGD
SCHEMBL2130094 0.84 IKBKB (0.55) IKBKBCRHBPCRHR2ALDH1A1HPGD
SCHEMBL23277178 0.83 IKBKB (0.56) IKBKBCASP1KDM4EKMT2AMEN1
SCHEMBL28989312 0.80 IKBKB (0.56) IKBKBCRHBPCRHR2ALDH1A1HPGD
SCHEMBL3242500 0.80 IKBKB (0.50) IKBKBCRHBPCRHR2ALDH1A1HPGD
SCHEMBL10316580 0.78 IKBKB (0.47) IKBKBCRHBPCRHR2ALDH1A1HPGD
SCHEMBL30794963 0.78 IKBKB (0.47) IKBKBCRHBPCRHR2ALDH1A1HPGD
SCHEMBL3094649 0.77 KDM4E (0.63) ALDH1A1HPGDGAAHSD17B10KDM4E
SCHEMBL2770127 0.77 MAPT (0.49) IKBKBALDH1A1HPGDGAAALOX15

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 24 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-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
EP-2185149-A1 USE OF KNCQ POTASSIUM CHANNEL OPENERS FOR REDUCING SYMPTOMS OF OR TREATING DISORDERS OR CONDITIONS WHEREIN THE DOPAMINERGIC SYSTEM IS DISRUPTED H. Lundbeck A/S (DK) 2010-05-19 EP claimed
WO-2009015667-A1 USE OF KNCQ POTASSIUM CHANNEL OPENERS FOR REDUCING SYMPTOMS OF OR TREATING DISORDERS OR CONDITIONS WHEREIN THE DOPAMINERGIC SYSTEM IS DISRUPTED H. LUNDBECK A/S (DK) 2009-02-05 WO claimed
US-20080318953-A1 Substituted Pyridine Derivatives H. LUNDBECK A/S (DK) 2008-12-25 US claimed
EP-1861394-A1 SUBSTITUTED PYRIDINE DERIVATIVES H.Lundbeck A/S (DK) 2007-12-05 EP claimed
WO-2006092143-A1 SUBSTITUTED PYRIDINE DERIVATIVES H. LUNDBECK A/S (DK) 2006-09-08 WO 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
WO-2009015667-A1 USE OF KNCQ POTASSIUM CHANNEL OPENERS FOR REDUCING SYMPTOMS OF OR TREATING DISORDERS OR CONDITIONS WHEREIN THE DOPAMINERGIC SYSTEM IS DISRUPTED H. LUNDBECK A/S (DK) 2009-02-05 WO 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 (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-20080318953-A1 Substituted Pyridine Derivatives KCNQ2, KCNQ1, KCNQ5 IKBKB 1649/4885CRHBP 4149/4885CRHR2 3657/4885
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 IKBKB 802/4885CRHBP 3038/4885CRHR2 1170/4885

“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.