SCHEMBL5098445

SCHEMBL5098445

CCOC(=O)CCc1c(N)nc(C(C)C)c(C(=O)OC)c1-c1ccc(F)cc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GCGR P47871 14/20 0.63
MAPT P10636 4/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC10A2 Q12908 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL9221722 0.86 GCGR (0.85) GCGR
SCHEMBL5101684 0.85 GCGR (0.70) GCGR
SCHEMBL3192181 0.84 GCGR (0.61) GCGRMAPTKDM4EHPGDHSD17B10
SCHEMBL9745394 0.83 GCGR (0.69) GCGR
SCHEMBL14189850 0.80 GCGR (0.64) GCGRSLC10A2NPC1RAB9ASMN1; SMN2
SCHEMBL5094936 0.80 GCGR (0.54) GCGRMAPTKDM4EMEN1ALDH1A1
SCHEMBL5094930 0.80 GCGR (0.54) GCGRMAPTKDM4EMEN1ALDH1A1
SCHEMBL9851014 0.79 GCGR (0.81) GCGR
SCHEMBL2647513 0.78 GCGR (1.00) GCGR
SCHEMBL9737768 0.77 GCGR (0.64) GCGRMAPTKDM4EHPGDMEN1

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-7420059-B2 HMG-CoA reductase inhibitors and method BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-02 US disclosed
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 124/4885MAPT 210/4885KDM4E 1898/4885

“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.