SCHEMBL6644264

SCHEMBL6644264

CC(NC(=O)OC(C)(C)C)c1cccc(N2C[C@@H](C)O[C@@H](C)C2)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
BRD4 O60885 2/20 0.43
ACACB O00763 9/20 0.41
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP2C9 P11712 1/20 0.41
CTSK P43235 2/20 0.41
NOTUM Q6P988 1/20 0.38
MEN1 O00255 1/20 0.38
GFER P55789 1/20 0.38
KMT2A Q03164 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 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
SCHEMBL6644267 1.00 POLB (0.47) POLBBRD4ACACBKCNQ3KCNQ2
SCHEMBL6687160 1.00 POLB (0.47) POLBBRD4ACACBKCNQ3KCNQ2
SCHEMBL6858673 1.00 POLB (0.47) POLBBRD4ACACBKCNQ3KCNQ2
SCHEMBL6698914 0.88 KCNQ3 (0.45) POLBACACBKCNQ3KCNQ2CYP1A2
SCHEMBL6684783 0.88 KCNQ3 (0.45) POLBACACBKCNQ3KCNQ2CYP1A2
SCHEMBL6684786 0.88 KCNQ3 (0.45) POLBACACBKCNQ3KCNQ2CYP1A2
SCHEMBL21388688 0.86 ACACB (0.47) POLBBRD4ACACB
SCHEMBL3978842 0.82 CYP3A4 (0.60) BRD4ACACBKCNQ3KCNQ2CYP1A2
SCHEMBL6645521 0.82 CYP3A4 (0.60) BRD4ACACBKCNQ3KCNQ2CYP1A2
SCHEMBL6858656 0.81 MEN1 (0.47) ACACBKCNQ3KCNQ2CYP1A2CYP3A4

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 POLB 4791/4885BRD4 909/4885ACACB 2518/4885

“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.