SCHEMBL714174

SCHEMBL714174

COC(=O)CCn1c(=O)c(C(=O)NCc2cccc(F)c2)c(C)c2ccc(C(F)(F)F)cc21

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 2/20 0.45
PDE10A Q9Y233 1/20 0.43
CCR1 P32246 3/20 0.41
MAPT P10636 2/20 0.41
PPARG P37231 1/20 0.40
ROCK2 O75116 1/20 0.40
TP53 P04637 1/20 0.40
GLS O94925 1/20 0.39
MLYCD O95822 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPK14 Q16539 1/20 0.38
SCD O00767 1/20 0.38

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
SCHEMBL713182 0.92 S1PR3 (0.46) S1PR3PDE10ACCR1MAPTPPARG
SCHEMBL30795406 0.92 S1PR3 (0.46) S1PR3PDE10ACCR1MAPTPPARG
SCHEMBL29501 0.92 S1PR3 (0.46) S1PR3PDE10ACCR1MAPTPPARG
SCHEMBL30794729 0.90 S1PR3 (0.45) S1PR3PDE10ACCR1MAPTPPARG
SCHEMBL29862 0.90 S1PR3 (0.45) S1PR3PDE10ACCR1MAPTPPARG
SCHEMBL30795738 0.90 S1PR3 (0.47) S1PR3PDE10ACCR1MAPTROCK2
SCHEMBL29002 0.90 S1PR3 (0.45) S1PR3PDE10ACCR1MAPTROCK2
SCHEMBL715295 0.90 S1PR3 (0.47) S1PR3PDE10ACCR1MAPTROCK2
SCHEMBL30795875 0.90 S1PR3 (0.45) S1PR3PDE10ACCR1MAPTROCK2
SCHEMBL29084 0.89 S1PR3 (0.43) S1PR3PDE10ACCR1MAPTPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2609086-B1 SUBSTITUTED 2-OXO- AND 2-THIOXO-DIHYDROQUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS GRUENENTHAL GMBH (DE) 2015-02-25 EP claimed
US-8653102-B2 Substituted 2-oxo- and 2-thioxo-dihydroquinoline-3-carboxamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2014-02-18 US claimed
US-20120053206-A1 Substituted 2-oxo- and 2-thioxo-dihydroquinoline-3-carboxamides as KCNQ2/3 modulators GRUNENTHAL GMBH (DE) 2012-03-01 US claimed
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-2609086-B1 SUBSTITUTED 2-OXO- AND 2-THIOXO-DIHYDROQUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS GRUENENTHAL GMBH (DE) 2015-02-25 EP disclosed
US-8653102-B2 Substituted 2-oxo- and 2-thioxo-dihydroquinoline-3-carboxamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2014-02-18 US disclosed
US-20120053206-A1 Substituted 2-oxo- and 2-thioxo-dihydroquinoline-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-20120053206-A1 Substituted 2-oxo- and 2-thioxo-dihydroquinoline-3-carboxamides as KCNQ2/3 modulators KCNQ1, KCNQ2, KCNQ3 S1PR3 1410/4885PDE10A 2512/4885CCR1 4531/4885

“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.