SCHEMBL683685

SCHEMBL683685

CC(=O)O[C@@H]1CN[C@H](C(C)=O)C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.36
CHRM4 P08173 5/20 0.36
CHRM1 P11229 5/20 0.36
CHRM3 P20309 5/20 0.36
CHRM5 P08912 4/20 0.36
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
ALOX15 P16050 1/20 0.32
CYP2C19 P33261 1/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
TSHR P16473 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
SCHEMBL683739 0.86 CYP2D6 (0.48) CYP1A2CYP2D6ALOX15CYP2C19SLC1A3
SCHEMBL3450044 0.86 CYP2D6 (0.48) CYP1A2CYP2D6ALOX15CYP2C19SLC1A3
SCHEMBL3450045 0.86 CYP2D6 (0.48) CYP1A2CYP2D6ALOX15CYP2C19SLC1A3
SCHEMBL5861606 0.86 CYP2D6 (0.48) CYP1A2CYP2D6ALOX15CYP2C19SLC1A3
SCHEMBL7208477 0.85 CHRM2 (0.34) CHRM2CHRM4CHRM1CHRM3CHRM5
SCHEMBL7208474 0.85 CHRM2 (0.34) CHRM2CHRM4CHRM1CHRM3CHRM5
SCHEMBL9641197 0.83 CHRNB2 (0.38) CHRM2CHRM4CHRM1CHRM3CHRM5
SCHEMBL14665843 0.82 CTSC (0.40) CYP1A2CYP2D6ALOX15CYP2C19SLC1A3
SCHEMBL14598760 0.82 CTSC (0.40) CYP1A2CYP2D6ALOX15CYP2C19SLC1A3
SCHEMBL13026171 0.82 CTSC (0.40) CYP1A2CYP2D6ALOX15CYP2C19SLC1A3

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-20110312890-A1 ACETYLATED AMINO ACIDS AS ANTI-PLATELET AGENTS, NUTRITIONAL AND VITAMIN SUPPLEMENTS SIGNATURE R&D HOLDINGS, LLC (US) 2011-12-22 US disclosed
US-20110275713-A1 Acetylated amino acids as Anti-platelet agents, Nutritional And Vitamin Supplements SIGNATURE R&D HOLDINGS, LLC (US) 2011-11-10 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 (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-20110312890-A1 ACETYLATED AMINO ACIDS AS ANTI-PLATELET AGENTS, NUTRITIONAL AND VITAMIN SUPPLEMENTS PLTP, GP6, PDGFA CHRM2 3988/4885CHRM4 4476/4885CHRM1 3624/4885
US-20110275713-A1 Acetylated amino acids as Anti-platelet agents, Nutritional And Vitamin Supplements PLTP, GP6, PDGFA CHRM2 3988/4885CHRM4 4476/4885CHRM1 3624/4885

“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.