SCHEMBL5961533

SCHEMBL5961533

CCCC(C#N)CC(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
ALDH1A1 P00352 9/20 0.38
TRPA1 O75762 1/20 0.38
TSHR P16473 3/20 0.36
CYP3A4 P08684 2/20 0.36
ALOX15 P16050 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
HSD17B10 Q99714 2/20 0.35
CHRM1 P11229 1/20 0.35
ADORA1 P30542 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL15030939 0.88 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL8745342 0.88 ZDHHC7 (0.41) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL4380443 0.85 MGAM (0.34) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL4972104 0.85 MGAM (0.34) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL4375843 0.85 MGAM (0.34) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL4377130 0.85 MGAM (0.34) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL12385422 0.85 GAA (0.43) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1325863 0.84 L3MBTL1 (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL8379492 0.83 GAA (0.41) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL17759227 0.83 TSHR (0.34) GAAMGAMSIMGAM2TSHR

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-8466297-B2 Manufacturing process for (S)-Pregabalin SOUKUP MILAN (US) 2013-06-18 US disclosed
US-20120123134-A1 Manufacturing process for (S)-Pregabalin Drug Process Licensing Associates LLC (US) 2012-05-17 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-20120123134-A1 Manufacturing process for (S)-Pregabalin GABRE, GABRP, GABBR1 GAA 628/4885MGAM 2461/4885SI 1092/4885

“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.