SCHEMBL22222

SCHEMBL22222

CCCc1nc2cc(C(F)(F)F)ccc2c(C)c1C(=O)NCC1CCCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.42
MLYCD O95822 1/20 0.42
CRHR1 P34998 2/20 0.40
CCR2 P41597 1/20 0.40
CSNK1D P48730 1/20 0.39
BCL2 P10415 1/20 0.39
BCL2L1 Q07817 1/20 0.39
MCL1 Q07820 1/20 0.39
BCL2A1 Q16548 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
P2RX7 Q99572 2/20 0.39
GLS O94925 1/20 0.38
MMP13 P45452 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
MAOB P27338 1/20 0.37

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
SCHEMBL1721599 0.84 HDAC6 (0.41) HDAC6MLYCDCRHR1CCR2CSNK1D
SCHEMBL1722140 0.84 HDAC6 (0.41) HDAC6MLYCDCRHR1CCR2CSNK1D
SCHEMBL23618 0.79 HTT (0.44) MCL1MEN1KMT2A
SCHEMBL21960 0.79 MCHR1 (0.39) MLYCD
SCHEMBL21613 0.79 DHODH (0.46)
SCHEMBL30794338 0.77 HPGD (0.47) MEN1KMT2A
SCHEMBL21439 0.77 KDM4E (0.43) MLYCDGLSMAOBMEN1KMT2A
SCHEMBL21875 0.77 HPGD (0.47) MEN1KMT2A
SCHEMBL22194 0.76 KDM4E (0.49) MAOBMEN1KMT2A
SCHEMBL1721588 0.75 TRPV1 (0.38) CRHR1CSNK1DTRPV1

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 HDAC6 609/4885MLYCD 2958/4885CRHR1 3783/4885

“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.