SCHEMBL13774331

SCHEMBL13774331

CCOC(=O)CN[C@H](C)CC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
MGAM O43451 1/20 0.50
SI P14410 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
ALDH1A1 P00352 6/20 0.41
TRPA1 O75762 1/20 0.41
HTT P42858 2/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PPID Q08752 1/20 0.37
LMNA P02545 2/20 0.36
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL7721965 1.00 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
Hydrochloric Acid SCHEMBL27816766 0.98 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL19236955 0.86 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL10124278 0.86 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL3840221 0.86 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL2039271 0.84 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL10184338 0.84 KDM4E (0.44) GAAALDH1A1HTTCYP2D6CYP2C9
SCHEMBL10184357 0.83 HTT (0.42) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL13774329 0.83 HTT (0.42) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL452234 0.83 GAA (0.54) GAAMGAMSIMGAM2ALDH1A1

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-20230218578-A1 BENZOPYRAZOLE COMPOUNDS AND ANALOGUES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2023-07-13 US disclosed
US-20090181930-A1 KINASE INHIBITORY PHOSPHONATE ANALOGS CANNIZZARO CARINA 2009-07-16 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 (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-20230218578-A1 BENZOPYRAZOLE COMPOUNDS AND ANALOGUES THEREOF C9, C5, C1QBP GAA 641/4885MGAM 3833/4885SI 1253/4885
US-20090181930-A1 KINASE INHIBITORY PHOSPHONATE ANALOGS PIK3CA, PNKP, PIK3CB GAA 1040/4885MGAM 1552/4885SI 1555/4885

“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.