SCHEMBL15788809

SCHEMBL15788809

NC(=O)[C@H](CCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHRND Q07001 6/20 0.59
▸ CHRNA1 P02708 2/20 0.59
▸ CHRNG P07510 2/20 0.59
▸ CHRNB1 P11230 2/20 0.59
▸ NPY1R P25929 1/20 0.58
▸ NPY2R P49146 1/20 0.58
▸ NPY4R P50391 1/20 0.58
▸ NPY5R Q15761 1/20 0.58
▸ GRIA1 P42261 7/20 0.57
▸ CHRNB2 P17787 1/20 0.56
▸ CHRNB4 P30926 1/20 0.56
▸ CHRNA3 P32297 1/20 0.56
▸ CHRNA4 P43681 1/20 0.56
▸ GRIN1 Q05586 1/20 0.56
▸ GRIN2A Q12879 1/20 0.56
▸ GRM1 Q13255 1/20 0.56

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
SCHEMBL19619302 0.90 CHRND (0.56) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL15788797 0.89 CHRND (0.55) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL31514303 0.84 NAALAD2 (0.66) CHRND
SCHEMBL31514306 0.84 NAALAD2 (0.66) CHRND
SCHEMBL12526095 0.84 GRIA1 (0.56) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL12527096 0.83 CHRND (0.70) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL14478103 0.83 APC (0.60) NPY1RNPY2RNPY4RNPY5RGRIA1
SCHEMBL25627390 0.80 CHRND (0.50) CHRNDCHRNA1CHRNGCHRNB1NPY1R
SCHEMBL14765234 0.79 CHRNB2 (0.64) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL29467399 0.79 CHRND (0.53) CHRNDCHRNA1CHRNGCHRNB1GRIA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140161723-A1 IN VIVO METHODS OF MONITORING BIODISTRIBUTION KODE BIOTECH LIMITED (NZ) 2014-06-12 — — 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-20140161723-A1 IN VIVO METHODS OF MONITORING BIODISTRIBUTION FABP1, FUCA1, LIPA CHRND 2430/4885CHRNA1 3641/4885CHRNG 1062/4885

“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.

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