SCHEMBL6684783

SCHEMBL6684783

CC1CN(c2cccc(C(C)NC(=O)OC(C)(C)C)c2)CCO1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.45
KCNQ2 O43526 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP19A1 P11511 1/20 0.45
CYP2C9 P11712 1/20 0.45
ACACB O00763 8/20 0.42
NOTUM Q6P988 1/20 0.40
NR1H3 Q13133 3/20 0.39
NR1H2 P55055 2/20 0.39
ROCK2 O75116 1/20 0.39
PRKG1 Q13976 1/20 0.39
CTSK P43235 2/20 0.38
MEN1 O00255 1/20 0.38
GFER P55789 1/20 0.38
KMT2A Q03164 1/20 0.38
KIF18A Q8NI77 1/20 0.38
POLB P06746 1/20 0.38
USP30 Q70CQ3 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
SCHEMBL6698914 1.00 KCNQ3 (0.45) KCNQ3KCNQ2CYP1A2CYP3A4CYP19A1
SCHEMBL6684786 1.00 KCNQ3 (0.45) KCNQ3KCNQ2CYP1A2CYP3A4CYP19A1
SCHEMBL21388652 0.88 ACACB (0.45) ACACB
SCHEMBL6858673 0.88 POLB (0.47) KCNQ3KCNQ2CYP1A2CYP3A4CYP19A1
SCHEMBL6644264 0.88 POLB (0.47) KCNQ3KCNQ2CYP1A2CYP3A4CYP19A1
SCHEMBL6687160 0.88 POLB (0.47) KCNQ3KCNQ2CYP1A2CYP3A4CYP19A1
SCHEMBL6644267 0.88 POLB (0.47) KCNQ3KCNQ2CYP1A2CYP3A4CYP19A1
SCHEMBL6687952 0.87 KCNQ3 (0.43) KCNQ3KCNQ2CYP1A2CYP3A4CYP19A1
SCHEMBL6687956 0.87 KCNQ3 (0.43) KCNQ3KCNQ2CYP1A2CYP3A4CYP19A1
SCHEMBL6851477 0.87 KCNQ3 (0.43) KCNQ3KCNQ2CYP1A2CYP3A4CYP19A1

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 4 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 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 KCNQ3 11/4885KCNQ2 6/4885CYP1A2 1264/4885

“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.