SCHEMBL17777930

SCHEMBL17777930

CCOC(=O)C(=CN(C)C)c1c(C(C)(C)CNC(=O)OC(C)(C)C)c(-c2ccc(F)cc2)nn1Cc1ccc(OC)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.38
ALDH1A1 P00352 5/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
LMNA P02545 2/20 0.34
ACHE P22303 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
CASP1 P29466 3/20 0.34
CASP7 P55210 2/20 0.34
HIF1A Q16665 2/20 0.34
CYP1A2 P05177 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CACNA1G O43497 1/20 0.34
MAPT P10636 3/20 0.33
ASIC1 P78348 1/20 0.33
GLA P06280 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
GNRHR P30968 1/20 0.33
USP2 O75604 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
SCHEMBL25632913 0.92 KCNK3 (0.37) KCNK3ALDH1A1MEN1KMT2ALMNA
SCHEMBL17777810 0.88 ASIC1 (0.36) KCNK3ALDH1A1MEN1KMT2ALMNA
SCHEMBL19711705 0.88 KCNK3 (0.40) KCNK3ALDH1A1MEN1KMT2ALMNA
SCHEMBL17777768 0.82 PTGDR2 (0.36) ALDH1A1KMT2ALMNAMKNK2MAPT
SCHEMBL17777971 0.82 KCNK3 (0.39) KCNK3ALDH1A1MEN1KMT2ALMNA
SCHEMBL19702812 0.80 PTGDR2 (0.35) ALDH1A1MEN1KMT2ALMNAMKNK2
SCHEMBL21451580 0.79 ASIC1 (0.37) KCNK3ALDH1A1MEN1KMT2ALMNA
SCHEMBL17777908 0.77 ASIC1 (0.37) KCNK3ALDH1A1MEN1KMT2ALMNA
SCHEMBL19702814 0.74 PTGDR2 (0.35) ALDH1A1MEN1KMT2ALMNAUSP2
SCHEMBL20575342 0.72 AKR1C3 (0.33) MEN1KMT2AASIC1

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 4151/4885ALDH1A1 1592/4885MEN1 285/4885
US-20230183247-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE VHL, BRDT, PAICS KCNK3 4151/4885ALDH1A1 1592/4885MEN1 285/4885

“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.