SCHEMBL6856512

SCHEMBL6856512

CC1CN(c2cccc(C(C)NC(=O)/C=C/c3ccc(F)cc3F)c2)CCO1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 2/20 0.54
CYP3A4 P08684 2/20 0.54
KCNQ3 O43525 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP19A1 P11511 1/20 0.54
CYP2C9 P11712 1/20 0.54
ACACB O00763 3/20 0.38
GPER1 Q99527 1/20 0.37
ROCK2 O75116 1/20 0.36
PRKG1 Q13976 1/20 0.36

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
SCHEMBL6856525 1.00 KCNQ2 (0.54) KCNQ2CYP3A4KCNQ3CYP1A2CYP19A1
SCHEMBL6856519 1.00 KCNQ2 (0.54) KCNQ2CYP3A4KCNQ3CYP1A2CYP19A1
SCHEMBL6856515 1.00 KCNQ2 (0.54) KCNQ2CYP3A4KCNQ3CYP1A2CYP19A1
SCHEMBL6858683 0.94 KCNQ2 (0.54) KCNQ2CYP3A4KCNQ3CYP1A2CYP19A1
SCHEMBL6858590 0.91 KCNQ2 (0.58) KCNQ2CYP3A4KCNQ3CYP1A2CYP19A1
SCHEMBL6858596 0.91 KCNQ2 (0.58) KCNQ2CYP3A4KCNQ3CYP1A2CYP19A1
SCHEMBL6858592 0.91 KCNQ2 (0.58) KCNQ2CYP3A4KCNQ3CYP1A2CYP19A1
SCHEMBL6858601 0.91 KCNQ2 (0.58) KCNQ2CYP3A4KCNQ3CYP1A2CYP19A1
SCHEMBL6643689 0.90 KCNQ2 (0.50) KCNQ2CYP3A4KCNQ3CYP1A2CYP19A1
SCHEMBL6687451 0.90 KCNQ2 (0.50) 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 6 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
US-20030166650-A1 Cinnamide derivatives as KCNQ potassium channel modulators BRISTOL-MYERS SQUIBB COMPANY 2003-09-04 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-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.