SCHEMBL5094876

SCHEMBL5094876

CC(C)C(=O)C(C(=O)O)C(c1ccc(F)cc1)C1CCCN(C)C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
SLC6A3 Q01959 3/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HSD11B1 P28845 1/20 0.34
GRM5 P41594 1/20 0.34
PER2 O15055 1/20 0.34
CRY2 Q49AN0 1/20 0.34
KCNH2 Q12809 2/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
CACNA2D1 P54289 1/20 0.34
CACNA1B Q00975 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
SCHEMBL14097229 0.76 DPP4 (0.33) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL8877425 0.75 HTR2C (0.41) PTGS2
SCHEMBL14079295 0.74 DPP4 (0.32) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL5101639 0.74 NPC1 (0.36) MEN1KMT2APER2
SCHEMBL8878719 0.73 KDM4E (0.40) PTGS2
SCHEMBL8890622 0.72 GRM7 (0.40) MEN1KMT2A
SCHEMBL5108351 0.70 PTGS2 (0.38) SLC6A3PTGS2
SCHEMBL14079281 0.68 ALDH1A1 (0.38) SLC6A2SLC6A4SLC6A3PSEN1PSEN2
SCHEMBL13283514 0.66 BRD4 (0.38) GRM5PER2CRY2
SCHEMBL18651543 0.66 BRD4 (0.38) GRM5PER2CRY2

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 SLC6A2 1039/4885SLC6A4 1529/4885SLC6A3 1623/4885

“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.