SCHEMBL22952672

SCHEMBL22952672

CC(C)(C)[S+]([O-])N[C@@H](CC=O)c1cccc(OC(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEP1B Q16820 1/20 0.36
KCNK2 O95069 1/20 0.33
KCNA5 P22460 1/20 0.33
KCNH2 Q12809 1/20 0.33
KCNB1 Q14721 1/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
MEN1 O00255 3/20 0.32
MAPT P10636 3/20 0.32
KMT2A Q03164 3/20 0.32
RAB9A P51151 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
LMNA P02545 2/20 0.32
NPC1 O15118 2/20 0.32
ACACB O00763 1/20 0.32
NPSR1 Q6W5P4 3/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL28716086 1.00 DRD1 (0.37) DRD1KDM4EMEP1BKCNK2KCNA5
SCHEMBL28716084 1.00 DRD1 (0.37) DRD1KDM4EMEP1BKCNK2KCNA5
SCHEMBL29440431 1.00 DRD1 (0.37) DRD1KDM4EMEP1BKCNK2KCNA5
Potassium SCHEMBL29693791 0.99 DRD1 (0.36) DRD1KDM4EMEP1BKCNK2KCNA5
SCHEMBL22952607 0.88 KDM4E (0.34) DRD1KDM4EMEP1BKCNK2KCNA5
SCHEMBL28936693 0.88 KDM4E (0.34) DRD1KDM4EMEP1BKCNK2KCNA5
SCHEMBL29440439 0.88 KDM4E (0.34) DRD1KDM4EMEP1BKCNK2KCNA5
SCHEMBL22952600 0.88 KDM4E (0.34) DRD1KDM4EMEP1BKCNK2KCNA5
SCHEMBL28711060 0.88 KDM4E (0.34) DRD1KDM4EMEP1BKCNK2KCNA5
SCHEMBL29440460 0.88 KDM4E (0.34) DRD1KDM4EMEP1BKCNK2KCNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11548849-B2 Alcohol derivatives as KV7 potassium channel openers H. LUNDBECK A/S (DK) 2023-01-10 US 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 (2 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 DRD1 1199/4885KDM4E 474/4885MEP1B 959/4885
US-20210032196-A1 ALCOHOL DERIVATIVES AS KV7 POTASSIUM CHANNEL OPENERS KCNA7, KCNK17, KCNQ1 DRD1 1067/4885KDM4E 433/4885MEP1B 1285/4885

“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.