SCHEMBL6851608

SCHEMBL6851608

C/C(=N\O)c1ccc2c(c1)N(C(=O)OC(C)(C)C)CCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.43
DRD2 P14416 1/20 0.43
HTR7 P34969 1/20 0.43
BRD4 O60885 2/20 0.41
TP53 P04637 2/20 0.41
LMNA P02545 1/20 0.41
MPO P05164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NOTUM Q6P988 1/20 0.39
ESR2 Q92731 1/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
NR1H2 P55055 1/20 0.38
CREBBP Q92793 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
SCHEMBL6851609 1.00 CHRM4 (0.43) CHRM4DRD2HTR7BRD4TP53
SCHEMBL6646791 0.91 KDM4E (0.48) BRD4TP53MPOKDM4ENOTUM
SCHEMBL6646790 0.91 KDM4E (0.48) BRD4TP53MPOKDM4ENOTUM
SCHEMBL6625750 0.88 LMNA (0.46) CHRM4DRD2HTR7BRD4TP53
SCHEMBL29631022 0.87 ALDH1A1 (0.45) CHRM4DRD2HTR7BRD4TP53
SCHEMBL3576898 0.87 ALDH1A1 (0.45) CHRM4DRD2HTR7BRD4TP53
SCHEMBL3565263 0.83 HDAC6 (0.51) CHRM4DRD2HTR7BRD4TP53
SCHEMBL1734404 0.80 ESR2 (0.55) CHRM4DRD2HTR7BRD4MPO
SCHEMBL1270523 0.80 CHRM4 (0.50) CHRM4DRD2HTR7BRD4NOTUM
SCHEMBL15074680 0.80 KDM4E (0.58) CHRM4DRD2HTR7BRD4MPO

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 2 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
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 CHRM4 181/4885DRD2 1133/4885HTR7 1098/4885

“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.