SCHEMBL22962152

SCHEMBL22962152

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

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.59
KLK5 Q9Y337 1/20 0.56
F2 P00734 1/20 0.55
PRSS1 P07477 1/20 0.55
CMA1 P23946 12/20 0.52
KMT2A Q03164 2/20 0.50
REN P00797 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
SCHEMBL7545974 0.92 ACE (0.58) ACEKLK5F2PRSS1CMA1
SCHEMBL7545907 0.92 ACE (0.58) ACEKLK5F2PRSS1CMA1
SCHEMBL8366751 0.90 ACE (0.56) ACEKLK5F2PRSS1CMA1
SCHEMBL22961962 0.90 ACE (0.72) ACEKLK5F2PRSS1CMA1
SCHEMBL8365074 0.90 ACE (0.56) ACEKLK5F2PRSS1CMA1
SCHEMBL7148899 0.89 ACE (0.63) ACEKLK5F2PRSS1CMA1
SCHEMBL7537159 0.89 ACE (0.63) ACEKLK5F2PRSS1CMA1
SCHEMBL12658455 0.88 KLK5 (0.69) ACEKLK5F2PRSS1CMA1
SCHEMBL7268512 0.88 KLK5 (0.69) ACEKLK5F2PRSS1CMA1
SCHEMBL28002546 0.88 KLK5 (0.69) ACEKLK5F2PRSS1CMA1

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 ACE 1903/4885KLK5 964/4885F2 3195/4885

“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.