SCHEMBL2129744

SCHEMBL2129744

COc1nc(N2CCOC[C@H]2C)cc(C)c1C(=O)NCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.47
KCNQ2 O43526 1/20 0.47
BRAF P15056 4/20 0.42
RAF1 P04049 5/20 0.42
MDM2 Q00987 2/20 0.40
MTOR P42345 2/20 0.40
EPHX2 P34913 1/20 0.39
NAPEPLD Q6IQ20 1/20 0.39
MCHR1 Q99705 1/20 0.38
PPARA Q07869 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL30795277 1.00 KCNQ3 (0.47) KCNQ3KCNQ2BRAFRAF1MDM2
SCHEMBL2129472 0.91 KCNQ3 (0.58) KCNQ3KCNQ2MTORGAATSHR
SCHEMBL2129292 0.89 MEN1 (0.48) KCNQ3KCNQ2MDM2MTORTSHR
SCHEMBL2130485 0.87 KCNQ3 (0.47) KCNQ3KCNQ2MTOR
SCHEMBL2129798 0.87 KCNQ3 (0.50) KCNQ3KCNQ2BRAFRAF1NAPEPLD
SCHEMBL30795711 0.87 KCNQ3 (0.50) KCNQ3KCNQ2BRAFRAF1NAPEPLD
SCHEMBL2129789 0.86 KCNQ3 (0.47) KCNQ3KCNQ2MTOR
SCHEMBL2129268 0.85 BRAF (0.41) BRAFRAF1MDM2MTOREPHX2
SCHEMBL30795893 0.85 BRAF (0.41) BRAFRAF1MDM2MTOREPHX2
SCHEMBL19721515 0.85 KCNQ3 (0.47) KCNQ3KCNQ2MTOR

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3318556-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2018-05-09 EP claimed
US-9278103-B2 Substituted 6-amino-nicotinamides as KCNQ2/3 modulators Grünenthal GmbH (DE) 2016-03-08 US claimed
US-20140213569-A1 Substituted 6-amino-nicotinamides as KCNQ2/3 modulators GRUNENTHAL GMBH (DE) 2014-07-31 US claimed
EP-2630123-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-08-28 EP claimed
US-20120258947-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS GRUNENTHAL GMBH (DE) 2012-10-11 US claimed
US-20120101079-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS GRUNENTHAL GMBH (DE) 2012-04-26 US claimed
WO-2012052167-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2012-04-26 WO claimed
WO-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS 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-3318556-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2018-05-09 EP disclosed
EP-2630123-B1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS GRUENENTHAL GMBH (DE) 2017-12-20 EP disclosed
US-9278103-B2 Substituted 6-amino-nicotinamides as KCNQ2/3 modulators Grünenthal GmbH (DE) 2016-03-08 US disclosed
US-9168259-B2 Substituted 6-amino-nicotinamides as KCNQ2/3 modulators Grünenthal GmbH (DE) 2015-10-27 US disclosed
US-20140213569-A1 Substituted 6-amino-nicotinamides as KCNQ2/3 modulators GRUNENTHAL GMBH (DE) 2014-07-31 US disclosed
US-8552200-B2 Substituted 6-amino-nicotinamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2013-10-08 US disclosed
EP-2630123-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-08-28 EP disclosed
US-20120258947-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS GRUNENTHAL GMBH (DE) 2012-10-11 US disclosed
US-20120101079-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS GRUNENTHAL GMBH (DE) 2012-04-26 US disclosed
WO-2012052167-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2012-04-26 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 (3 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-20140213569-A1 Substituted 6-amino-nicotinamides as KCNQ2/3 modulators KCNQ2, KCNQ1, KCNQ3 KCNQ3 3/4885KCNQ2 1/4885BRAF 2192/4885
US-20120101079-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS KCNQ2, KCNQ1, KCNQ3 KCNQ3 3/4885KCNQ2 1/4885BRAF 2192/4885
US-20120258947-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS KCNQ2, KCNQ1, KCNQ3 KCNQ3 3/4885KCNQ2 1/4885BRAF 2192/4885

“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.