SCHEMBL22962005

SCHEMBL22962005

CC(C)(C)OC(=O)NCCCC[C@@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.58
PRSS1 P07477 1/20 0.58
CMA1 P23946 14/20 0.57
ACE P12821 1/20 0.53
REN P00797 2/20 0.52
CTRC Q99895 2/20 0.52
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
OPRM1 P35372 1/20 0.51
OPRD1 P41143 1/20 0.51

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
SCHEMBL22962350 0.94 F2 (0.57) F2PRSS1CMA1ACECTRC
SCHEMBL22962154 0.90 F2 (0.54) F2PRSS1CMA1ACECTRC
SCHEMBL29560799 0.88 F2 (0.62) F2PRSS1CMA1ACECTRC
SCHEMBL29562010 0.88 F2 (0.62) F2PRSS1CMA1ACECTRC
SCHEMBL10445408 0.86 CMA1 (0.56) F2PRSS1CMA1ACECTRC
SCHEMBL10697532 0.86 F2 (0.58) F2PRSS1CMA1ACECTRC
SCHEMBL29445785 0.86 F2 (0.53) F2PRSS1CMA1CTRCOPRM1
SCHEMBL20173734 0.86 OPRM1 (0.54) F2PRSS1RENOPRM1OPRD1
SCHEMBL22871631 0.86 ITGB3 (0.53) F2PRSS1CMA1RENITGB3
SCHEMBL7312472 0.85 ITGB3 (0.59) F2PRSS1CMA1ACEITGB3

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-20210040150-A1 KAPPA OPIOID RECEPTOR PEPTIDE AMIDE AGONISTS YICHANG HUMANWELL PHARMACEUTICALS CO., LTD. (CN) 2021-02-11 US disclosed
WO-2021026492-A1 KAPPA OPIOID RECEPTOR PEPTIDE AMIDE AGONISTS Humanwell Pharmaceutical US (US) 2021-02-11 WO 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-20210040150-A1 KAPPA OPIOID RECEPTOR PEPTIDE AMIDE AGONISTS OPRK1, OPRL1, OPRD1 F2 3195/4885PRSS1 2910/4885CMA1 2533/4885

“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.