SCHEMBL6646791

SCHEMBL6646791

CC(=NO)c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
BRD4 O60885 1/20 0.48
MPO P05164 1/20 0.46
PDK1 Q15118 5/20 0.42
PDK2 Q15119 5/20 0.42
PDK3 Q15120 5/20 0.42
PDK4 Q16654 5/20 0.42
HSD17B10 Q99714 1/20 0.42
SRD5A1 P18405 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
ALDH1A1 P00352 4/20 0.40
TSHR P16473 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NOTUM Q6P988 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL6646790 1.00 KDM4E (0.48) KDM4EBRD4MPOPDK1PDK2
SCHEMBL6851609 0.91 CHRM4 (0.43) KDM4EBRD4MPOALDH1A1TSHR
SCHEMBL6851608 0.91 CHRM4 (0.43) KDM4EBRD4MPOALDH1A1TSHR
SCHEMBL6629774 0.88 KDM4E (0.52) KDM4EBRD4MPOPDK1PDK2
SCHEMBL380901 0.87 KDM4E (0.53) KDM4EBRD4MPOPDK1PDK2
SCHEMBL30076622 0.87 KDM4E (0.53) KDM4EBRD4MPOPDK1PDK2
SCHEMBL380505 0.80 DHODH (0.49) KDM4EBRD4MPOPDK1PDK2
SCHEMBL19689700 0.80 GPR119 (0.47) KDM4EHSD17B10SRD5A1ALDH1A1NOTUM
SCHEMBL30527088 0.80 DHODH (0.49) KDM4EBRD4MPOPDK1PDK2
SCHEMBL21428260 0.80 KDM4E (0.73) KDM4EBRD4MPOPDK1PDK2

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 KDM4E 485/4885BRD4 909/4885MPO 3650/4885

“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.