SCHEMBL24570002

SCHEMBL24570002

O=Cc1cn(CCOCCOCCOCCNC(=O)CCCC[C@@H]2SCC3NC(=O)NC32)nn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.60
▸ PKM P14618 3/20 0.56
▸ F2 P00734 1/20 0.55
▸ PRSS1 P07477 1/20 0.55
▸ PRSS2 P07478 1/20 0.55
▸ PRSS3 P35030 1/20 0.55
▸ TPSAB1 Q15661 1/20 0.55
▸ CA12 O43570 4/20 0.53
▸ CA1 P00915 4/20 0.53
▸ CA2 P00918 4/20 0.53
▸ CA9 Q16790 4/20 0.53
▸ FOLH1 Q04609 3/20 0.52
▸ LYPLA2 O95372 1/20 0.51
▸ SENP1 Q9P0U3 1/20 0.51
▸ SIRT2 Q8IXJ6 1/20 0.51
▸ JAK2 O60674 1/20 0.50
▸ JAK1 P23458 1/20 0.50
▸ TYK2 P29597 1/20 0.50
▸ JAK3 P52333 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL20090400 0.88 OPRM1 (0.61) OPRM1PKMF2PRSS1PRSS2
SCHEMBL22473633 0.87 OPRM1 (0.64) OPRM1PKMF2PRSS1PRSS2
SCHEMBL13735950 0.87 OPRM1 (0.66) OPRM1PKMF2PRSS1PRSS2
SCHEMBL26431288 0.86 OPRM1 (0.63) OPRM1PKMF2PRSS1PRSS2
SCHEMBL26432275 0.86 OPRM1 (0.61) OPRM1PKMF2PRSS1PRSS2
SCHEMBL20896592 0.85 OPRM1 (0.61) OPRM1PKMF2PRSS1PRSS2
SCHEMBL19134196 0.85 OPRM1 (0.63) OPRM1PKMF2PRSS1PRSS2
SCHEMBL18694532 0.85 OPRM1 (0.63) OPRM1PKMF2PRSS1PRSS2
SCHEMBL22473635 0.85 OPRM1 (0.60) OPRM1PKMF2PRSS1PRSS2
SCHEMBL20896670 0.85 CA12 (0.61) OPRM1PKMF2PRSS1PRSS2

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-20220204481-A1 PROTEIN AND/OR PEPTIDE MODIFICATION MOLECULE OSAKA UNIVERSITY (JP) 2022-06-30 — — 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-20220204481-A1 PROTEIN AND/OR PEPTIDE MODIFICATION MOLECULE PTMS, DNPEP, NPPA OPRM1 3507/4885PKM 2785/4885F2 2998/4885

“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.

Send feedback