SCHEMBL13827705

SCHEMBL13827705

CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CC

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 8/20 0.65
CHRND Q07001 6/20 0.56
CHRNA1 P02708 2/20 0.56
CHRNG P07510 2/20 0.56
CHRNB1 P11230 2/20 0.56
CHRNB2 P17787 1/20 0.53
CHRNB4 P30926 1/20 0.53
CHRNA3 P32297 1/20 0.53
CHRNA4 P43681 1/20 0.53
GRIN1 Q05586 1/20 0.53
GRIN2A Q12879 1/20 0.53
GRM1 Q13255 1/20 0.53

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
SCHEMBL12201006 0.87 CHRND (0.59) GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL13886178 0.87 PSMB5 (0.61) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL25139854 0.87 GRIA1 (0.59) GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL5007773 0.87 GRIA1 (0.62) GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL5009890 0.87 GRIA1 (0.62) GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL4179483 0.86 FOLH1 (0.62) GRIA1
SCHEMBL4187321 0.86 FOLH1 (0.62) GRIA1
SCHEMBL14304898 0.85 GRIA1 (0.58) GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL19705769 0.83 GRIA1 (0.55) GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL24558028 0.82 GRIA1 (0.55) GRIA1CHRNDCHRNA1CHRNGCHRNB1

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-8765920-B2 Tyrosine bioconjugation through aqueous Ene-like reactions THE SCRIPPS RESEARCH INSTITUTE (US) 2014-07-01 US disclosed
US-20120289682-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions THE SCRIPPS RESEARCH INSTITUTE 2012-11-15 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-20120289682-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions TYR, DNPEP, TH GRIA1 1829/4885CHRND 2085/4885CHRNA1 3466/4885

“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.