SCHEMBL5102017

SCHEMBL5102017

CCOC(=O)c1c(C(C)C)nc(N)c(C=O)c1-c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 6/20 0.49
SLC10A2 Q12908 1/20 0.46
GRM6 O15303 1/20 0.45
PRKCZ Q05513 1/20 0.45
MAPT P10636 5/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GPR55 Q9Y2T6 1/20 0.44
CACNB4 O00305 2/20 0.43
CACNA1A O00555 2/20 0.43
CACNA1G O43497 2/20 0.43
CACNG3 O60359 2/20 0.43
CACNA1F O60840 2/20 0.43
CACNA1H O95180 2/20 0.43
ACHE P22303 2/20 0.43
CACNB3 P54284 2/20 0.43
CACNA2D1 P54289 2/20 0.43
CACNG7 P62955 2/20 0.43
CACNA1B Q00975 2/20 0.43
CACNA1D Q01668 2/20 0.43

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
SCHEMBL2647789 0.90 GCGR (0.55) GCGRSLC10A2ALDH1A1L3MBTL1HTT
SCHEMBL5095278 0.88 GCGR (0.60) GCGRSLC10A2NPC1RAB9ASMN1; SMN2
SCHEMBL2647128 0.86 GCGR (0.51) GCGRSLC10A2GRM6PRKCZMAPT
SCHEMBL5098482 0.84 GCGR (0.44) GCGR
SCHEMBL2648212 0.84 GCGR (0.62) GCGRSLC10A2GRM6PRKCZMAPT
SCHEMBL3192181 0.84 GCGR (0.61) GCGRSLC10A2GRM6PRKCZMAPT
SCHEMBL8846752 0.83 GCGR (0.54) GCGRSLC10A2CACNB4CACNA1ACACNA1G
SCHEMBL5094930 0.82 GCGR (0.54) GCGRSLC10A2GRM6PRKCZMAPT
SCHEMBL5094936 0.82 GCGR (0.54) GCGRSLC10A2GRM6PRKCZMAPT
SCHEMBL6961915 0.80 PTGS2 (0.44) GCGRSLC10A2GRM6PRKCZMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7420059-B2 HMG-CoA reductase inhibitors and method BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-02 US disclosed
EP-1684754-A1 HMG-COA REDUCTASE INHIBITORS AND METHOD Bristol-Myers Squibb Company (US) 2006-08-02 EP disclosed
US-20050171140-A1 Prevent cholesterol biosynthesis; moderating blood serum lipid ; antidiabetic agents; obesity; hypotensive agents; osteoporosis; Alzheimer's disease; cardiovascular disorders; hormone replacement therapy BRISTOL-MYERS SQUIBB COMPANY 2005-08-04 US disclosed
WO-2005051386-A1 HMG-COA REDUCTASE INHIBITORS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-09 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 (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-20050171140-A1 Prevent cholesterol biosynthesis; moderating blood serum lipid ; antidiabetic agents; obesity; hypotensive agents; osteoporosis; Alzheimer's disease; cardiovascular disorders; hormone replacement therapy HMGCR, LDLR, APOB GCGR 124/4885SLC10A2 2144/4885GRM6 1286/4885

“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.