SCHEMBL6858656

SCHEMBL6858656

C[C@H](NC(=O)OC(C)(C)C)c1cccc(N2CCN(C)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
GFER P55789 1/20 0.47
KMT2A Q03164 1/20 0.47
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
HTR2C P28335 2/20 0.43
ROCK2 O75116 1/20 0.43
ADRA2C P18825 1/20 0.42
KCNB1 Q14721 1/20 0.41
PLOD2 O00469 1/20 0.41
PLOD3 O60568 1/20 0.41
PLOD1 Q02809 1/20 0.41
OXTR P30559 1/20 0.41
CACNA2D1 P54289 1/20 0.41
CTSK P43235 2/20 0.40
HTR6 P50406 1/20 0.40

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
SCHEMBL782021 1.00 MEN1 (0.47) MEN1GFERKMT2AKCNQ3KCNQ2
SCHEMBL6626168 1.00 MEN1 (0.47) MEN1GFERKMT2AKCNQ3KCNQ2
SCHEMBL14830816 0.89 MEN1 (0.47) MEN1GFERKMT2AKCNQ3KCNQ2
SCHEMBL6645521 0.87 CYP3A4 (0.60) MEN1GFERKMT2AKCNQ3KCNQ2
SCHEMBL3978842 0.87 CYP3A4 (0.60) MEN1GFERKMT2AKCNQ3KCNQ2
SCHEMBL5378296 0.86 ROCK2 (0.44) MEN1GFERKMT2AKCNQ3KCNQ2
SCHEMBL21378571 0.85 HDAC3 (0.43) MEN1KMT2ACTSKACACB
SCHEMBL21378568 0.85 HDAC3 (0.43) MEN1KMT2ACTSKACACB
SCHEMBL5863244 0.84 AOC3 (0.47) MEN1GFERKMT2AKCNQ3KCNQ2
SCHEMBL5863237 0.84 AOC3 (0.47) MEN1GFERKMT2AKCNQ3KCNQ2

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 MEN1 2942/4885GFER 2488/4885KMT2A 1116/4885

“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.