SCHEMBL7876820

SCHEMBL7876820

CCOC(=O)C(C)CCNCl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 4/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KMT2A Q03164 3/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
ALOX15 P16050 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
HPGD P15428 1/20 0.33
SOAT1 P35610 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
METAP2 P50579 1/20 0.33

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
SCHEMBL19441166 0.82 GAA (0.39) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL14616914 0.80 ALDH1A1 (0.48) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL24200475 0.80 GAA (0.38) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL1731865 0.77 ALDH1A1 (0.40) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL4639637 0.77 GABRR1 (0.54) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL7879761 0.77 GABRR1 (0.54) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL11358308 0.77 ALDH1A1 (0.40) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL113543 0.76 SMN1; SMN2 (0.45) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL13483255 0.76 SMN1; SMN2 (0.45) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL8245481 0.76 SMN1; SMN2 (0.45) GAAMGAMSIMGAM2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263629-B2 Substituted aminobutyric derivatives as neprilysin inhibitors NOVARTIS AG (CH) 2012-09-11 US disclosed
WO-2010136474-A2 SUBSTITUTED AMINOBUTYRIC DERIVATIVES AS NEPRILYSIN INHIBITORS NOVARTIS AG (CH) 2010-12-02 WO disclosed
US-20100305145-A1 Substituted Aminobutyric Derivatives as Neprilysin Inhibitors NOVARTIS AG (CH) 2010-12-02 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-20100305145-A1 Substituted Aminobutyric Derivatives as Neprilysin Inhibitors MME, GABRB1, GABRE GAA 271/4885MGAM 3267/4885SI 807/4885

“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.