SCHEMBL15480889

SCHEMBL15480889

CC(=O)C[C@@](N)(CF)c1ccccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 5/20 0.42
KCNE1 P15382 1/20 0.39
KCNQ1 P51787 1/20 0.39
CTNNB1 P35222 1/20 0.36
WNT3A P56704 1/20 0.36
HPGD P15428 1/20 0.34
KIF11 P52732 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
KMT2A Q03164 1/20 0.33
RAB9A P51151 1/20 0.33
GAA P10253 1/20 0.33
RIPK1 Q13546 1/20 0.32
MAOB P27338 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
SCHEMBL21677293 0.85 KCNN4 (0.47) KCNN4KCNE1KCNQ1CTNNB1WNT3A
SCHEMBL18683357 0.85 KCNN4 (0.47) KCNN4KCNE1KCNQ1CTNNB1WNT3A
SCHEMBL17118636 0.80 NLRP3 (0.42) KCNN4HPGDCYP2C19KMT2ARAB9A
SCHEMBL21677155 0.74 KCNN4 (0.39) KCNN4KCNE1KCNQ1CTNNB1WNT3A
SCHEMBL18683297 0.74 KCNN4 (0.39) KCNN4KCNE1KCNQ1CTNNB1WNT3A
SCHEMBL18117413 0.72 KCNN4 (0.47) KCNN4KCNE1KCNQ1CTNNB1WNT3A
SCHEMBL15909862 0.71 PDK1 (0.35) KCNN4KCNE1KCNQ1CYP2C19KMT2A
SCHEMBL15903126 0.71 PDK1 (0.35) KCNN4KCNE1KCNQ1CYP2C19KMT2A
SCHEMBL10197999 0.69 KCNN4 (0.45) KCNN4KCNE1KCNQ1CTNNB1WNT3A
SCHEMBL15142455 0.69 KCNN4 (0.35) KCNN4KCNE1KCNQ1KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883779-B2 Oxazine derivatives and a pharmaceutical composition for inhibiting BACE1 containing them SHINOGI & CO., LTD. (JP) 2014-11-11 US disclosed
US-8883779-B2 Oxazine derivatives and a pharmaceutical composition for inhibiting BACE1 containing them SHINOGI & CO., LTD. (JP) 2014-11-11 US disclosed
EP-2703399-A1 OXAZINE DERIVATIVE AND BACE 1 INHIBITOR CONTAINING SAME Shionogi & Co., Ltd. (JP) 2014-03-05 EP disclosed
US-20140051691-A1 OXAZINE DERIVATIVES AND A PHARMACEUTICAL COMPOSITION FOR INHIBITING BACE1 CONTAINING THEM SHIONOGI & CO., LTD. (JP) 2014-02-20 US disclosed
US-20140051691-A1 OXAZINE DERIVATIVES AND A PHARMACEUTICAL COMPOSITION FOR INHIBITING BACE1 CONTAINING THEM SHIONOGI & CO., LTD. (JP) 2014-02-20 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-20140051691-A1 OXAZINE DERIVATIVES AND A PHARMACEUTICAL COMPOSITION FOR INHIBITING BACE1 CONTAINING THEM BACE1, BACE2, APP KCNN4 3325/4885KCNE1 2324/4885KCNQ1 3152/4885

“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.