SCHEMBL2133206

SCHEMBL2133206

Cc1cc(N2CCOCC2)nc(C(C)C)c1C(=O)NCc1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.48
ALDH1A1 P00352 2/20 0.47
GAA P10253 2/20 0.47
TSHR P16473 1/20 0.47
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KCNQ3 O43525 1/20 0.46
KCNQ2 O43526 1/20 0.46
LMNA P02545 4/20 0.45
PIK3CA P42336 2/20 0.45
PIK3CG P48736 2/20 0.45
KMT2A Q03164 1/20 0.44
NAPEPLD Q6IQ20 1/20 0.44
THRB P10828 1/20 0.44
KLKB1 P03952 1/20 0.43
KLK1 P06870 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL2129065 0.91 NAPEPLD (0.42) LMNAPIK3CAPIK3CGNAPEPLDAKT1
SCHEMBL2133257 0.91 S1PR3 (0.52) TP53ALDH1A1LMNAPIK3CAPIK3CG
SCHEMBL2131202 0.90 MEN1 (0.52) TP53ALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL2130397 0.90 SRC (0.47) ALDH1A1LMNAPIK3CAPIK3CGNAPEPLD
SCHEMBL30795518 0.90 BRAF (0.48) GAASMN1; SMN2LMNAPIK3CANAPEPLD
SCHEMBL2130613 0.90 BRAF (0.48) GAASMN1; SMN2LMNAPIK3CANAPEPLD
SCHEMBL2129665 0.86 ALDH1A1 (0.44) TP53ALDH1A1GAATSHRPOLB
SCHEMBL2130845 0.85 NAPEPLD (0.48) TP53ALDH1A1GAATSHRKCNQ3
SCHEMBL2129170 0.85 KCNQ3 (0.63) TP53ALDH1A1GAATSHRKCNQ3
SCHEMBL2130924 0.85 TP53 (0.48) TP53ALDH1A1GAATSHRKCNQ3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2630123-B1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS GRUENENTHAL GMBH (DE) 2017-12-20 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
EP-4584250-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS Biohaven Therapeutics Ltd. (VG) 2025-07-16 EP disclosed
EP-4580679-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS Biohaven Therapeutics Ltd. (VG) 2025-07-09 EP disclosed
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
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 TP53 4502/4885ALDH1A1 2214/4885GAA 3174/4885
US-20120101079-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS KCNQ2, KCNQ1, KCNQ3 TP53 4502/4885ALDH1A1 2214/4885GAA 3174/4885
US-20120258947-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS KCNQ2, KCNQ1, KCNQ3 TP53 4502/4885ALDH1A1 2214/4885GAA 3174/4885

“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.