SCHEMBL22561

SCHEMBL22561

Cc1c(C(=O)NCc2cccc(F)c2)c(CC(C)C)nc2cc(C(F)(F)F)ccc12

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.42
S1PR3 Q99500 2/20 0.41
MLYCD O95822 1/20 0.41
TACR1 P25103 8/20 0.41
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTGES O14684 1/20 0.40
GLS O94925 1/20 0.40
PDE4B Q07343 1/20 0.39
PDE11A Q9HCR9 1/20 0.39

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 0.90 TACR1 (0.51) CCR1MLYCDTACR1KDM4EL3MBTL1
SCHEMBL30795400 0.90 KDM4E (0.49) CCR1S1PR3MLYCDTACR1KDM4E
SCHEMBL20628 0.90 KDM4E (0.49) CCR1S1PR3MLYCDTACR1KDM4E
SCHEMBL21439 0.88 KDM4E (0.43) CCR1S1PR3MLYCDTACR1KDM4E
SCHEMBL30794619 0.88 MLYCD (0.42) CCR1S1PR3MLYCDTACR1KDM4E
SCHEMBL21850 0.88 MLYCD (0.42) CCR1S1PR3MLYCDTACR1KDM4E
SCHEMBL20313 0.88 MLYCD (0.45) CCR1MLYCDTACR1GLS
SCHEMBL21921 0.88 TACR1 (0.54) CCR1MLYCDTACR1KDM4EL3MBTL1
SCHEMBL22161 0.88 TACR1 (0.43) CCR1S1PR3MLYCDTACR1KDM4E
SCHEMBL30796365 0.88 TACR1 (0.54) CCR1MLYCDTACR1KDM4EL3MBTL1

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
WO-2012025238-A1 SUBSTITUTED QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2012-03-01 WO claimed
US-20120053204-A1 Substituted quinoline-3-carboxamides as KCNQ2/3 modulators GRUNENTHAL GMBH (DE) 2012-03-01 US 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
WO-2012025238-A1 SUBSTITUTED QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2012-03-01 WO disclosed
US-20120053204-A1 Substituted quinoline-3-carboxamides as KCNQ2/3 modulators GRUNENTHAL GMBH (DE) 2012-03-01 US 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 CCR1 4609/4885S1PR3 1453/4885MLYCD 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.