SCHEMBL21288075

SCHEMBL21288075

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

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 8/20 0.48
GPR139 Q6DWJ6 2/20 0.47
ITGB3 P05106 2/20 0.44
ITGAV P06756 2/20 0.44
ITGB5 P18084 2/20 0.44
ITGB6 P18564 2/20 0.44
ITGB8 P26012 1/20 0.43
MME P08473 1/20 0.42
FAAH O00519 1/20 0.41
VNN1 O95497 1/20 0.40

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
SCHEMBL21303092 1.00 PDE2A (0.48) PDE2AGPR139ITGB3ITGAVITGB5
SCHEMBL22953247 0.89 GPR139 (0.44) PDE2AGPR139ITGB3ITGAVITGB5
SCHEMBL21303102 0.88 GPR139 (0.45) PDE2AGPR139ITGB3ITGAVITGB5
SCHEMBL21288077 0.88 GPR139 (0.45) PDE2AGPR139ITGB3ITGAVITGB5
SCHEMBL21295101 0.87 GPR139 (0.58) GPR139ITGB3ITGAVITGB5ITGB6
SCHEMBL22970326 0.87 GPR139 (0.58) GPR139ITGB3ITGAVITGB5ITGB6
SCHEMBL21303101 0.86 GPR139 (0.44) PDE2AGPR139ITGB3ITGAVITGB5
SCHEMBL21288050 0.86 GPR139 (0.44) PDE2AGPR139ITGB3ITGAVITGB5
SCHEMBL21272603 0.86 PDE2A (0.48) PDE2AGPR139ITGB3ITGAVITGB5
SCHEMBL21272605 0.86 PDE2A (0.48) PDE2AGPR139ITGB3ITGAVITGB5

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
US-20200172474-A1 ALCOHOL DERIVATIVES AS KV7 POTASSIUM CHANNEL OPENERS H. LUNDBECK A/S (DK) 2020-06-04 US 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 (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-20190256456-A1 ALCOHOL DERIVATIVES AS KV7 POTASSIUM CHANNEL OPENERS KCNA7, KCNK17, KCNQ1 PDE2A 2139/4885GPR139 663/4885ITGB3 2840/4885
US-20200172474-A1 ALCOHOL DERIVATIVES AS KV7 POTASSIUM CHANNEL OPENERS KCNA7, KCNK17, KCNQ1 PDE2A 2139/4885GPR139 663/4885ITGB3 2840/4885

“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.