SCHEMBL17777971

SCHEMBL17777971

CCOC(=O)Cc1c(C(C)(C)CNC(=O)OC(C)(C)C)c(-c2ccc(F)cc2)nn1Cc1ccc(OC)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.39
MAPT P10636 4/20 0.36
ASIC1 P78348 1/20 0.36
KMT2A Q03164 5/20 0.35
KLK7 P49862 1/20 0.35
MEN1 O00255 4/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PTGS2 P35354 2/20 0.35
ACHE P22303 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
CACNA1G O43497 1/20 0.35
THRB P10828 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL17777908 0.86 ASIC1 (0.37) KCNK3MAPTASIC1KMT2AKLK7
SCHEMBL19711705 0.85 KCNK3 (0.40) KCNK3MAPTASIC1KMT2AMEN1
SCHEMBL17777940 0.82 KCNK3 (0.40) KCNK3MAPTASIC1KMT2AKLK7
SCHEMBL17777930 0.82 KCNK3 (0.38) KCNK3MAPTASIC1KMT2AMEN1
SCHEMBL25632913 0.81 KCNK3 (0.37) KCNK3MAPTASIC1KMT2AMEN1
SCHEMBL17777764 0.80 PTGDR2 (0.42) MAPTKMT2AMEN1PTGDR2ALDH1A1
SCHEMBL21451580 0.79 ASIC1 (0.37) KCNK3MAPTASIC1KMT2AMEN1
SCHEMBL19702813 0.77 PTGDR2 (0.41) KMT2AKLK7MEN1PTGDR2LMNA
SCHEMBL17777810 0.76 ASIC1 (0.36) KCNK3MAPTASIC1KMT2AMEN1
SCHEMBL19659387 0.71 CYP2D6 (0.34) MAPTKMT2AMEN1PTGDR2ALDH1A1

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-20230183247-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE AKARNA THERAPEUTICS LTD (GB) 2023-06-15 US disclosed
US-20170355699-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE ABBVIE INC. 2017-12-14 US disclosed
WO-2016081918-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE AKARNA THERAPEUTICS, LTD. (GB) 2016-05-26 WO 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-20170355699-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE VHL, BRDT, PAICS KCNK3 4151/4885MAPT 982/4885ASIC1 4848/4885
US-20230183247-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE VHL, BRDT, PAICS KCNK3 4151/4885MAPT 982/4885ASIC1 4848/4885

“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.