SCHEMBL20560486

SCHEMBL20560486

CC(C)(C)[S@@+]([O-])N[C@](C)(c1ccccc1F)C(F)(F)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.39
KCNN4 O15554 5/20 0.36
KAT6A Q92794 1/20 0.34
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
KCNE1 P15382 1/20 0.33
KCNQ1 P51787 1/20 0.33
AR P10275 1/20 0.33
ABCC9 O60706 3/20 0.32
ABCC8 Q09428 3/20 0.32
KCNJ11 Q14654 3/20 0.32
KCNJ8 Q15842 3/20 0.32
PTGS2 P35354 1/20 0.32
GAA P10253 1/20 0.31

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
SCHEMBL17006967 1.00 BACE1 (0.39) BACE1KCNN4KAT6APDK1PDK2
SCHEMBL20560485 1.00 BACE1 (0.39) BACE1KCNN4KAT6APDK1PDK2
SCHEMBL15903389 0.89 BACE1 (0.39) BACE1KCNN4KAT6APDK1PDK2
SCHEMBL2591955 0.83 TAAR1 (0.40) BACE1GAA
SCHEMBL2591958 0.83 TAAR1 (0.40) BACE1GAA
SCHEMBL2591960 0.83 TAAR1 (0.40) BACE1GAA
SCHEMBL17748528 0.82 BACE1 (0.43) BACE1KCNN4KAT6APDK1PDK2
SCHEMBL2584644 0.82 AR (0.35) BACE1AR
SCHEMBL17748529 0.82 BACE1 (0.43) BACE1KCNN4KAT6APDK1PDK2
SCHEMBL17727935 0.82 BACE1 (0.37) BACE1KCNN4KAT6APDK1PDK2

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-3353163-B1 2,3,4,5-TETRAHYDROPYRIDIN-6-AMINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2020-02-05 EP disclosed
US-20180334447-A1 2,3,4,5-TETRAHYDROPYRIDIN-6-AMINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2018-11-22 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-20180334447-A1 2,3,4,5-TETRAHYDROPYRIDIN-6-AMINE DERIVATIVES BACE1, BACE2, APP BACE1 1/4885KCNN4 4155/4885KAT6A 3428/4885

“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.