SCHEMBL21288050

SCHEMBL21288050

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 1/20 0.44
ITGB3 P05106 2/20 0.42
ITGAV P06756 2/20 0.42
ITGB5 P18084 2/20 0.42
ITGB6 P18564 2/20 0.42
ITGB8 P26012 1/20 0.41
MME P08473 1/20 0.40
PDE2A O00408 1/20 0.38
VNN1 O95497 1/20 0.38
UGCG Q16739 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL21303101 1.00 GPR139 (0.44) GPR139ITGB3ITGAVITGB5ITGB6
SCHEMBL22952815 0.92 KDM4E (0.40) GPR139LMNAMAPK1KDM4E
SCHEMBL22965257 0.92 KDM4E (0.40) GPR139LMNAMAPK1KDM4E
SCHEMBL21303102 0.89 GPR139 (0.45) GPR139ITGB3ITGAVITGB5ITGB6
SCHEMBL21288077 0.89 GPR139 (0.45) GPR139ITGB3ITGAVITGB5ITGB6
SCHEMBL21272738 0.87 GPR139 (0.44) GPR139ITGB3ITGAVITGB5ITGB6
SCHEMBL21272741 0.87 GPR139 (0.44) GPR139ITGB3ITGAVITGB5ITGB6
SCHEMBL29589628 0.87 GPR139 (0.44) GPR139ITGB3ITGAVITGB5ITGB6
SCHEMBL22953247 0.87 GPR139 (0.44) GPR139ITGB3ITGAVITGB5ITGB6
SCHEMBL21288075 0.86 PDE2A (0.48) GPR139ITGB3ITGAVITGB5ITGB6

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
EP-4241843-A2 ALCOHOL DERIVATIVES AS KV7 POTASSIUM CHANNEL OPENERS H. Lundbeck A/S (DK) 2023-09-13 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 663/4885ITGB3 2840/4885ITGAV 1385/4885

“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.