SCHEMBL4156137

SCHEMBL4156137

CCOC(=O)CC(CC(C)C)NC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.42
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TRPA1 O75762 1/20 0.35
LMNA P02545 1/20 0.35
CAPN9 O14815 1/20 0.35

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
SCHEMBL11126995 0.87 MGAM (0.50) MGAMGAASIMGAM2ALDH1A1
SCHEMBL4204036 0.87 MGAM (0.39) CNR2MGAMGAASIMGAM2
SCHEMBL5180093 0.87 MGAM (0.39) CNR2MGAMGAASIMGAM2
SCHEMBL5166981 0.84 MGAM (0.37) CNR2MGAMGAASIMGAM2
SCHEMBL5327674 0.84 MGAM (0.37) CNR2MGAMGAASIMGAM2
SCHEMBL4195616 0.84 MGAM (0.37) CNR2MGAMGAASIMGAM2
SCHEMBL4936189 0.84 MGAM (0.37) CNR2MGAMGAASIMGAM2
SCHEMBL21327975 0.84 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL7734523 0.84 ALDH1A1 (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL5163368 0.82 PLA2G2C (0.43) MGAMGAASIMGAM2L3MBTL1

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-20090124820-A1 C1-Symmetric Bisphospine Ligands and Their Use in the Asymmetric Synthesis of Pregabalin PFIZER INC. 2009-05-14 US disclosed
EP-1727620-B1 C1-SYMMETRIC BISPHOSPHINE LIGANDS AND THEIR USE IN THE ASYMMETRIC SYNTHESIS OF PREGABALIN WARNER LAMBERT CO (US) 2007-08-29 EP disclosed
EP-1727620-A1 C1-SYMMETRIC BISPHOSPHINE LIGANDS AND THEIR USE IN THE ASYMMETRIC SYNTHESIS OF PREGABALIN Warner-Lambert Company LLC (US) 2006-12-06 EP disclosed
US-20050228190-A1 C1-symmetric bisphosphine ligands and their use in the asymmetric synthesis of pregabalin BAO JIAN 2005-10-13 US disclosed
WO-2005087370-A1 C1-SYMMETRIC BISPHOSPHINE LIGANDS AND THEIR USE IN THE ASYMMETRIC SYNTHESIS OF PREGABALIN WARNER-LAMBERT COMPANY LLC (US) 2005-09-22 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-20050228190-A1 C1-symmetric bisphosphine ligands and their use in the asymmetric synthesis of pregabalin GABRA5, CNR1, GABRE CNR2 10/4885MGAM 1482/4885GAA 3774/4885
US-20090124820-A1 C1-Symmetric Bisphospine Ligands and Their Use in the Asymmetric Synthesis of Pregabalin GABRE, GABRP, GABRA5 CNR2 20/4885MGAM 2166/4885GAA 4104/4885

“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.