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SCHEMBL6689923

SCHEMBL6689923

C[C@@H]1CN(c2cccc([C@H](C)NC(=O)C=Cc3cc(F)ccc3F)c2)C[C@H](C)O1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KCNQ2 O43526 2/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ KCNQ3 O43525 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP19A1 P11511 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ POLB P06746 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.38
▸ ACACB O00763 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ ROCK2 O75116 1/20 0.35
▸ PRKG1 Q13976 1/20 0.35

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
SCHEMBL30794624 1.00 KCNQ2 (0.51) KCNQ2CYP3A4KCNQ3CYP1A2CYP19A1
SCHEMBL6689918 1.00 KCNQ2 (0.51) KCNQ2CYP3A4KCNQ3CYP1A2CYP19A1
SCHEMBL6689925 1.00 KCNQ2 (0.51) KCNQ2CYP3A4KCNQ3CYP1A2CYP19A1
SCHEMBL30794799 0.94 KCNQ2 (0.50) KCNQ2CYP3A4KCNQ3CYP1A2CYP19A1
SCHEMBL6687451 0.94 KCNQ2 (0.50) KCNQ2CYP3A4KCNQ3CYP1A2CYP19A1
SCHEMBL6687448 0.94 KCNQ2 (0.50) KCNQ2CYP3A4KCNQ3CYP1A2CYP19A1
SCHEMBL6643692 0.94 KCNQ2 (0.50) KCNQ2CYP3A4KCNQ3CYP1A2CYP19A1
SCHEMBL6643690 0.94 KCNQ2 (0.50) KCNQ2CYP3A4KCNQ3CYP1A2CYP19A1
SCHEMBL6643689 0.94 KCNQ2 (0.50) KCNQ2CYP3A4KCNQ3CYP1A2CYP19A1
SCHEMBL6858698 0.93 KCNQ2 (0.52) 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 7 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
EP-1392644-A1 CINNAMIDE DERIVATIVES AS KCNQ POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-03-03 — — EP claimed
US-20030166650-A1 Cinnamide derivatives as KCNQ potassium channel modulators BRISTOL-MYERS SQUIBB COMPANY 2003-09-04 — — US claimed
WO-2002096858-A1 CINNAMIDE DERIVATIVES AS KCNQ POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-12-05 — — WO claimed
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.