SCHEMBL10013499

SCHEMBL10013499

CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N2CCCCC2)ccc1C(C)=O

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC8 Q09428 3/20 0.87
LMNA P02545 3/20 0.87
MAPK1 P28482 2/20 0.87
CYP3A4 P08684 2/20 0.87
SLC22A1 O15245 1/20 0.87
ABCC3 O15438 1/20 0.87
ABCC4 O15439 1/20 0.87
NR1I2 O75469 1/20 0.87
ABCB11 O95342 1/20 0.87
ADORA3 P0DMS8 1/20 0.87
HTR2A P28223 1/20 0.87
ADRA1A P35348 1/20 0.87
PTGS2 P35354 1/20 0.87
PDE4D Q08499 1/20 0.87
NR1I3 Q14994 1/20 0.87
ABCC2 Q92887 1/20 0.87
NR1H4 Q96RI1 1/20 0.87
GAA P10253 3/20 0.44
GFER P55789 1/20 0.44
KCNQ2 O43526 4/20 0.42

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
Repaglinide SCHEMBL16137 0.93 ABCC8 (1.00) ABCC8LMNAMAPK1CYP3A4SLC22A1
SCHEMBL2998276 0.93 LMNA (0.87) ABCC8LMNAMAPK1CYP3A4SLC22A1
Repaglinide SCHEMBL29598841 0.93 ABCC8 (1.00) ABCC8LMNAMAPK1CYP3A4SLC22A1
Repaglinide SCHEMBL29392295 0.93 ABCC8 (1.00) ABCC8LMNAMAPK1CYP3A4SLC22A1
Repaglinide SCHEMBL8141950 0.93 ABCC8 (1.00) ABCC8LMNAMAPK1CYP3A4SLC22A1
Repaglinide SCHEMBL29373506 0.93 ABCC8 (1.00) ABCC8LMNAMAPK1CYP3A4SLC22A1
Repaglinide SCHEMBL1536902 0.93 ABCC8 (1.00) ABCC8LMNAMAPK1CYP3A4SLC22A1
SCHEMBL3008216 0.93 LMNA (0.87) ABCC8LMNAMAPK1CYP3A4SLC22A1
Repaglinide SCHEMBL163867 0.93 ABCC8 (1.00) ABCC8LMNAMAPK1CYP3A4SLC22A1
SCHEMBL391046 0.92 ABCC8 (0.85) ABCC8LMNAMAPK1CYP3A4SLC22A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101769-B2 Chemical intermediate; high purity drug ACTAVIS GROUP PTC EHF (IE) 2012-01-24 US disclosed
US-20080200684-A1 Process for Preparing Ethyl (s)-2-Ethoxy-4-[N-[1-(2-Piperidinophenyl)-3-Methyl-1-Butyl]Aminocarbonyl Methyl]Benzoate and Use Thereof for the Preparation of Repaglinide ACTAVIS GROUP PTC HF (IS) 2008-08-21 US 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-20080200684-A1 Process for Preparing Ethyl (s)-2-Ethoxy-4-[N-[1-(2-Piperidinophenyl)-3-Methyl-1-Butyl]Aminocarbonyl Methyl]Benzoate and Use Thereof for the Preparation of Repaglinide MEP1B, GABRE, BPGM ABCC8 3122/4885LMNA 2050/4885MAPK1 2031/4885

“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.