SCHEMBL6683610

SCHEMBL6683610

CC(NC(=O)C=Cc1ccc(F)cc1)c1cccc(N2CCO[C@@H](C)C2)c1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 2/20 0.64
CYP3A4 P08684 2/20 0.64
KCNQ3 O43525 1/20 0.64
CYP1A2 P05177 1/20 0.64
CYP19A1 P11511 1/20 0.64
CYP2C9 P11712 1/20 0.64
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.40
ACACB O00763 2/20 0.40
GPER1 Q99527 1/20 0.40
MAPT P10636 1/20 0.39
AKT1 P31749 1/20 0.39
KCNK3 O14649 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
SCHEMBL6683606 1.00 KCNQ2 (0.64) KCNQ2CYP3A4KCNQ3CYP1A2CYP19A1
SCHEMBL6683615 1.00 KCNQ2 (0.64) KCNQ2CYP3A4KCNQ3CYP1A2CYP19A1
SCHEMBL6858114 1.00 KCNQ2 (0.64) KCNQ2CYP3A4KCNQ3CYP1A2CYP19A1
SCHEMBL6858670 0.93 KCNQ2 (0.61) KCNQ2CYP3A4KCNQ3CYP1A2CYP19A1
SCHEMBL6650990 0.92 KCNQ2 (0.62) KCNQ2CYP3A4KCNQ3CYP1A2CYP19A1
SCHEMBL6650988 0.92 KCNQ2 (0.62) KCNQ2CYP3A4KCNQ3CYP1A2CYP19A1
SCHEMBL30796249 0.92 KCNQ2 (0.62) KCNQ2CYP3A4KCNQ3CYP1A2CYP19A1
SCHEMBL6858122 0.92 KCNQ2 (0.62) KCNQ2CYP3A4KCNQ3CYP1A2CYP19A1
SCHEMBL6681217 0.92 KCNQ2 (0.62) KCNQ2CYP3A4KCNQ3CYP1A2CYP19A1
SCHEMBL6858587 0.92 CYP3A4 (0.75) KCNQ2CYP3A4KCNQ3CYP1A2CYP19A1

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
US-6831080-B2 E.g., 3-(2-fluorophenyl)-N-(1-(3-morpholin-4-yl)phenyl)-propyl)acrylamide; disorders responsive to opening of KCNQ potassium channels; analgesics; migraine, bipolar disorders, anticonvulsants, antiepileptic, anxiolytic agents BRISTOL-MYERS SQUIBB COMPANY 2004-12-14 US claimed
US-20030166650-A1 Cinnamide derivatives as KCNQ potassium channel modulators BRISTOL-MYERS SQUIBB COMPANY 2003-09-04 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
US-6831080-B2 E.g., 3-(2-fluorophenyl)-N-(1-(3-morpholin-4-yl)phenyl)-propyl)acrylamide; disorders responsive to opening of KCNQ potassium channels; analgesics; migraine, bipolar disorders, anticonvulsants, antiepileptic, anxiolytic agents BRISTOL-MYERS SQUIBB COMPANY 2004-12-14 US disclosed
EP-1392644-A1 CINNAMIDE DERIVATIVES AS KCNQ POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-03-03 EP disclosed
US-20030166650-A1 Cinnamide derivatives as KCNQ potassium channel modulators BRISTOL-MYERS SQUIBB COMPANY 2003-09-04 US disclosed
WO-2002096858-A1 CINNAMIDE DERIVATIVES AS KCNQ POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-12-05 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-20030166650-A1 Cinnamide derivatives as KCNQ potassium channel modulators KCNH2, KCNH3, KCNQ1 KCNQ2 6/4885CYP3A4 543/4885KCNQ3 11/4885

“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.