SCHEMBL22952693

SCHEMBL22952693

COC[C@H](NC(=O)OC(C)(C)C)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRB2 P47870 1/20 0.43
PDE2A O00408 7/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
UGCG Q16739 1/20 0.39
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 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
SCHEMBL28706200 1.00 GPR139 (0.43) GPR139GABRB1GABRB2PDE2ACTSS
SCHEMBL28936581 0.89 GABRB1 (0.43) GPR139GABRB1GABRB2PDE2ACTSS
SCHEMBL29440427 0.89 GPR139 (0.42) GPR139GABRB1GABRB2PDE2ACTSS
SCHEMBL22952643 0.89 GABRB1 (0.43) GPR139GABRB1GABRB2PDE2ACTSS
SCHEMBL21272633 0.89 GPR139 (0.42) GPR139GABRB1GABRB2PDE2ACTSS
SCHEMBL21272631 0.89 GPR139 (0.42) GPR139GABRB1GABRB2PDE2ACTSS
SCHEMBL29440442 0.88 GPR139 (0.45) GPR139GABRB1GABRB2PDE2ACTSS
SCHEMBL21272669 0.88 GPR139 (0.45) GPR139GABRB1GABRB2PDE2ACTSS
SCHEMBL21272671 0.88 GPR139 (0.45) GPR139GABRB1GABRB2PDE2ACTSS
SCHEMBL22952673 0.87 GPR139 (0.41) GPR139GABRB1GABRB2PDE2ACTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4461725-A2 ALCOHOL DERIVATIVES AS KV7 POTASSIUM CHANNEL OPENERS H. Lundbeck A/S (DK) 2024-11-13 EP disclosed
US-20240327336-A1 ALCOHOL DERIVATIVES AS KV7 POTASSIUM CHANNEL OPENERS H. LUNDBECK A/S (DK) 2024-10-03 US disclosed
EP-4007634-B1 ALCOHOL DERIVATIVES AS KV7 POTASSIUM CHANNEL OPENERS H LUNDBECK AS (DK) 2024-10-02 EP disclosed
US-11548849-B2 Alcohol derivatives as KV7 potassium channel openers H. LUNDBECK A/S (DK) 2023-01-10 US disclosed
US-11548849-B2 Alcohol derivatives as KV7 potassium channel openers H. LUNDBECK A/S (DK) 2023-01-10 US disclosed
EP-4007634-A1 ALCOHOL DERIVATIVES AS KV7 POTASSIUM CHANNEL OPENERS H. Lundbeck A/S (DK) 2022-06-08 EP disclosed
CN-114206830-A Alcohol derivatives as Kv7 potassium channel openers H.隆德贝克有限公司 2022-03-18 CN disclosed
WO-2021023617-A1 ALCOHOL DERIVATIVES AS KV7 POTASSIUM CHANNEL OPENERS H. LUNDBECK A/S (DK) 2021-02-11 WO disclosed
US-20210032196-A1 ALCOHOL DERIVATIVES AS KV7 POTASSIUM CHANNEL OPENERS H. LUNDBECK A/S (DK) 2021-02-04 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 (3 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-11548849-B2 Alcohol derivatives as KV7 potassium channel openers KCNA7, KCNK17, KCNAB1 GPR139 592/4885GABRB1 153/4885GABRB2 157/4885
US-20240327336-A1 ALCOHOL DERIVATIVES AS KV7 POTASSIUM CHANNEL OPENERS KCNA7, KCNK17, KCNQ1 GPR139 663/4885GABRB1 169/4885GABRB2 163/4885
US-20210032196-A1 ALCOHOL DERIVATIVES AS KV7 POTASSIUM CHANNEL OPENERS KCNA7, KCNK17, KCNQ1 GPR139 663/4885GABRB1 169/4885GABRB2 163/4885

“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.