SCHEMBL22497

SCHEMBL22497

COc1nc2cc(C(F)(F)F)ccc2c(OC)c1C(=O)NCc1cccc(F)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 4/20 0.45
PDE4B Q07343 2/20 0.43
PDE11A Q9HCR9 2/20 0.43
MLYCD O95822 1/20 0.43
PDE10A Q9Y233 1/20 0.42
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42
MAPK1 P28482 1/20 0.42
MAPK14 Q16539 1/20 0.42
TP53 P04637 1/20 0.42
GLS O94925 1/20 0.41
TACR1 P25103 1/20 0.40
MMP13 P45452 1/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
RECQL P46063 1/20 0.40
RIPK1 Q13546 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
SCHEMBL30795830 0.93 CCR1 (0.42) CCR1PDE4BPDE11AMLYCDPDE10A
SCHEMBL19682 0.93 CCR1 (0.42) CCR1PDE4BPDE11AMLYCDPDE10A
SCHEMBL20971 0.91 KCNQ3 (0.44) CCR1PDE4BPDE11AMLYCDPDE10A
SCHEMBL20185 0.90 KCNQ3 (0.53) KCNQ3KCNQ2TP53TACR1RECQL
SCHEMBL1722162 0.87 DDR1 (0.42) CCR1PDE4BPDE11AMLYCDPDE10A
SCHEMBL20573 0.85 KCNQ3 (0.45) PDE10AKCNQ3KCNQ2MAPK1TP53
SCHEMBL30796198 0.85 KCNQ3 (0.45) PDE10AKCNQ3KCNQ2MAPK1TP53
SCHEMBL21552 0.83 KCNQ3 (0.46) PDE10AKCNQ3KCNQ2MAPK1RECQL
SCHEMBL21147 0.83 MLYCD (0.42) CCR1PDE4BPDE11AMLYCDPDE10A
SCHEMBL30795067 0.83 KCNQ3 (0.46) PDE10AKCNQ3KCNQ2MAPK1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2609083-B1 SUBSTITUTED 2-OXY-QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS GRUENENTHAL GMBH (DE) 2015-02-25 EP claimed
US-20140080867-A1 Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators Grünenthal GmbH (DE) 2014-03-20 US claimed
EP-2609083-A1 SUBSTITUTED 2-OXY-QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-07-03 EP claimed
US-20120053205-A1 Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators Grünenthal GmbH (DE) 2012-03-01 US claimed
WO-2012025236-A1 SUBSTITUTED 2-OXY-QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2012-03-01 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
US-9073862-B2 Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2015-07-07 US disclosed
EP-2609083-B1 SUBSTITUTED 2-OXY-QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS GRUENENTHAL GMBH (DE) 2015-02-25 EP disclosed
US-20140080867-A1 Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators Grünenthal GmbH (DE) 2014-03-20 US disclosed
US-8653101-B2 Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2014-02-18 US disclosed
EP-2609083-A1 SUBSTITUTED 2-OXY-QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-07-03 EP disclosed
US-20120053205-A1 Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators Grünenthal GmbH (DE) 2012-03-01 US disclosed
WO-2012025236-A1 SUBSTITUTED 2-OXY-QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2012-03-01 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-20140080867-A1 Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators KCNQ1, KCNQ2, KCNQ3 CCR1 4505/4885PDE4B 1701/4885PDE11A 3560/4885
US-20120053205-A1 Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators KCNQ1, KCNQ2, KCNQ3 CCR1 4505/4885PDE4B 1701/4885PDE11A 3560/4885

“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.