SCHEMBL5499696

SCHEMBL5499696

C=C(NC(C)=O)C(=O)O.CCN(CC)CC

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
CRBN Q96SW2 1/20 0.31
POLB P06746 1/20 0.31
PAOX Q6QHF9 1/20 0.30

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
SCHEMBL346338 0.84
Methyl Alcohol SCHEMBL8740635 0.82 CRBN (0.39) CRBN
Methacrylic Acid SCHEMBL1146682 0.77 CHRM2 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
Glycine SCHEMBL8303383 0.77 GLRA1 (0.43) CRBN
SCHEMBL15080651 0.76 CRBN (0.35) CRBN
Pyruvate SCHEMBL21145028 0.71 CHRM2 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
Oxalic Acid SCHEMBL216302 0.71 FFAR3 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
Acetic Acid SCHEMBL16244302 0.71 FFAR3 (0.50) CHRM2CHRM4CHRM5CHRM1CHRM3
Oxalic Acid SCHEMBL1840973 0.71 FFAR3 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
Acetic Acid SCHEMBL19356582 0.71 FFAR3 (0.50) CHRM2CHRM4CHRM5CHRM1CHRM3

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
EP-1567535-B1 BIDENTATE C,P CHIRAL PHOSPHINE LIGANDS HOFFMANN LA ROCHE (CH) 2007-01-17 EP disclosed
US-6984744-B2 Phosphine ligands HOFFMAN-LA ROCHE INC. (US) 2006-01-10 US disclosed
EP-1567535-A1 BIDENTATE C,P CHIRAL PHOSPHINE LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2005-08-31 EP disclosed
WO-2004050669-A1 BIDENTATE C,P CHIRAL PHOSPHINE LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2004-06-17 WO disclosed
US-20040110975-A1 2-(2-phosphinoethyl)phospholanes and transition metal complexes with such ligands in asymmetric hydrogenation reactions; phospholone intermediates F. HOFFMANN-LA ROCHE AG (CH) 2004-06-10 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-20040110975-A1 2-(2-phosphinoethyl)phospholanes and transition metal complexes with such ligands in asymmetric hydrogenation reactions; phospholone intermediates CCRL2, LUC7L2, CDKL1 CHRM2 2278/4885CHRM4 2479/4885CHRM5 1883/4885

“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.