SCHEMBL6856385

SCHEMBL6856385

CC(N)c1ccc2c(c1)N(C(=O)OC(C)(C)C)CCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.43
BRD4 O60885 2/20 0.42
CHRM4 P08173 1/20 0.42
DRD2 P14416 1/20 0.42
HTR7 P34969 1/20 0.42
NR1H2 P55055 1/20 0.41
KDM4E B2RXH2 1/20 0.41
KDM1A O60341 1/20 0.41
ATAD2 Q6PL18 1/20 0.40
ESR2 Q92731 1/20 0.39
LMNA P02545 3/20 0.39
TP53 P04637 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CREBBP Q92793 1/20 0.39
HSD17B10 Q99714 1/20 0.38
NOTUM Q6P988 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
PDK1 Q15118 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
SCHEMBL6626997 0.91 MPO (0.49) MPOBRD4NR1H2KDM4EKDM1A
SCHEMBL16775741 0.90 PDK1 (0.46) MPOBRD4CHRM4DRD2HTR7
SCHEMBL19689717 0.83 GPR119 (0.47) MPOBRD4CHRM4DRD2HTR7
SCHEMBL398708 0.83 BRD4 (0.59) MPOBRD4CHRM4DRD2HTR7
SCHEMBL29984623 0.83 BRD4 (0.59) MPOBRD4CHRM4DRD2HTR7
SCHEMBL17795318 0.81 CHRM4 (0.48) CHRM4DRD2HTR7NR1H2KDM1A
SCHEMBL30686921 0.81 CHRM4 (0.48) CHRM4DRD2HTR7NR1H2KDM1A
SCHEMBL15074680 0.81 KDM4E (0.58) MPOBRD4CHRM4DRD2HTR7
SCHEMBL1734404 0.81 ESR2 (0.55) MPOBRD4CHRM4DRD2HTR7
SCHEMBL22482270 0.81 PDK1 (0.57) MPOBRD4KDM4ELMNATP53

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 MPO 3650/4885BRD4 909/4885CHRM4 181/4885

“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.