SCHEMBL21288036

SCHEMBL21288036

CC(C)CCC(=O)N[C@@H](C)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 8/20 0.58
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
KCNQ3 O43525 1/20 0.46
KCNQ2 O43526 1/20 0.46
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ACACB O00763 1/20 0.44
MME P08473 1/20 0.43
ITGB3 P05106 1/20 0.42
ITGAV P06756 1/20 0.42
ITGB5 P18084 1/20 0.42
ITGB6 P18564 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL21303100 1.00 GPR139 (0.58) GPR139MEN1KMT2AKCNQ3KCNQ2
SCHEMBL22970326 0.88 GPR139 (0.58) GPR139MEN1KMT2ALMNAPOLB
SCHEMBL21295101 0.88 GPR139 (0.58) GPR139MEN1KMT2ALMNAPOLB
SCHEMBL21303162 0.86 MEN1 (0.45) GPR139MEN1KMT2ALMNAPOLB
SCHEMBL21288096 0.86 MEN1 (0.45) GPR139MEN1KMT2ALMNAPOLB
SCHEMBL22965305 0.84 GPR139 (0.48) GPR139KCNQ3KCNQ2ACACBMME
SCHEMBL21272716 0.84 GPR139 (0.59) GPR139MEN1KMT2ALMNAPOLB
SCHEMBL21272717 0.84 GPR139 (0.59) GPR139MEN1KMT2ALMNAPOLB
SCHEMBL21272691 0.83 GPR139 (0.58) GPR139MEN1KMT2ALMNAPOLB
SCHEMBL21272694 0.83 GPR139 (0.58) GPR139MEN1KMT2ALMNAPOLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4241843-A2 ALCOHOL DERIVATIVES AS KV7 POTASSIUM CHANNEL OPENERS H. Lundbeck A/S (DK) 2023-09-13 EP disclosed
EP-3755684-B1 ALCOHOL DERIVATIVES AS KV7 POTASSIUM CHANNEL OPENERS H LUNDBECK AS (DK) 2023-07-12 EP disclosed
US-20190256456-A1 ALCOHOL DERIVATIVES AS KV7 POTASSIUM CHANNEL OPENERS H. LUNDBECK A/S (DK) 2019-08-22 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-20190256456-A1 ALCOHOL DERIVATIVES AS KV7 POTASSIUM CHANNEL OPENERS KCNA7, KCNK17, KCNQ1 GPR139 663/4885MEN1 2504/4885KMT2A 656/4885

“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.