SCHEMBL22161

SCHEMBL22161

COCc1nc2cc(C(F)(F)F)ccc2c(C)c1C(=O)NCc1cccc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 9/20 0.43
CCR1 P32246 2/20 0.42
MLYCD O95822 1/20 0.41
PDE4B Q07343 2/20 0.41
PDE11A Q9HCR9 2/20 0.41
MAOB P27338 1/20 0.41
MAPK14 Q16539 1/20 0.41
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
S1PR3 Q99500 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
SCHEMBL21419 0.92 TACR1 (0.51) TACR1CCR1MLYCDPDE4BPDE11A
SCHEMBL30795400 0.90 KDM4E (0.49) TACR1CCR1MLYCDMAOBKDM4E
SCHEMBL20628 0.90 KDM4E (0.49) TACR1CCR1MLYCDMAOBKDM4E
SCHEMBL21596 0.90 KCNQ3 (0.45) TACR1KDM4EL3MBTL1
SCHEMBL21850 0.88 MLYCD (0.42) TACR1CCR1MLYCDMAOBKDM4E
SCHEMBL30794619 0.88 MLYCD (0.42) TACR1CCR1MLYCDMAOBKDM4E
SCHEMBL21439 0.88 KDM4E (0.43) TACR1CCR1MLYCDMAOBKDM4E
SCHEMBL21921 0.88 TACR1 (0.54) TACR1CCR1MLYCDMAOBKDM4E
SCHEMBL22561 0.88 CCR1 (0.42) TACR1CCR1MLYCDPDE4BPDE11A
SCHEMBL30796365 0.88 TACR1 (0.54) TACR1CCR1MLYCDMAOBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2609085-A1 SUBSTITUTED QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-07-03 EP claimed
US-8445512-B2 Substituted quinoline-3-carboxamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2013-05-21 US claimed
US-20120053204-A1 Substituted quinoline-3-carboxamides as KCNQ2/3 modulators GRUNENTHAL GMBH (DE) 2012-03-01 US claimed
WO-2012025238-A1 SUBSTITUTED 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-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-2609085-A1 SUBSTITUTED QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-07-03 EP disclosed
US-8445512-B2 Substituted quinoline-3-carboxamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2013-05-21 US disclosed
US-20120053204-A1 Substituted quinoline-3-carboxamides as KCNQ2/3 modulators GRUNENTHAL GMBH (DE) 2012-03-01 US disclosed
WO-2012025238-A1 SUBSTITUTED 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 (1 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-20120053204-A1 Substituted quinoline-3-carboxamides as KCNQ2/3 modulators KCNQ1, KCNQ2, KCNQ3 TACR1 2506/4885CCR1 4609/4885MLYCD 2958/4885

“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.