SCHEMBL22952674

SCHEMBL22952674

N#CC[C@H](N)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
KCNA5 P22460 1/20 0.38
KCNH2 Q12809 1/20 0.38
GPR139 Q6DWJ6 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
CETP P11597 1/20 0.37
KIF11 P52732 1/20 0.37
SLC6A2 P23975 5/20 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
SCHEMBL22930892 1.00 ADORA2A (0.38) ADORA2AADORA1TRPM8KCNA5KCNH2
Hydrochloric Acid SCHEMBL28719364 0.99 SLC6A2 (0.38) ADORA2AADORA1TRPM8KCNA5KCNH2
Hydrochloric Acid SCHEMBL28719366 0.99 SLC6A2 (0.38) ADORA2AADORA1TRPM8KCNA5KCNH2
SCHEMBL22952726 0.86 ADORA2A (0.37) ADORA2AADORA1TRPM8KCNA5KCNH2
Hydrochloric Acid SCHEMBL28715423 0.85 SLC6A2 (0.36) ADORA2AADORA1TRPM8KCNA5KCNH2
Hydrochloric Acid SCHEMBL28715421 0.85 SLC6A2 (0.36) ADORA2AADORA1TRPM8KCNA5KCNH2
SCHEMBL18704160 0.82 CETP (0.43) GPR139CETPSLC6A2
SCHEMBL171242 0.82 GPR139 (0.43) KCNA5KCNH2GPR139CTSSCTSK
SCHEMBL734938 0.81 KIF11 (0.43) TRPM8CETPKIF11SLC6A2
SCHEMBL16563768 0.81 PDE2A (0.40) SLC6A2

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
US-11548849-B2 Alcohol derivatives as KV7 potassium channel openers H. LUNDBECK A/S (DK) 2023-01-10 US 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 ADORA2A 2087/4885ADORA1 1230/4885TRPM8 82/4885
US-20210032196-A1 ALCOHOL DERIVATIVES AS KV7 POTASSIUM CHANNEL OPENERS KCNA7, KCNK17, KCNQ1 ADORA2A 2026/4885ADORA1 1418/4885TRPM8 65/4885

“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.