SCHEMBL20964444

SCHEMBL20964444

NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(N)=O

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 12/20 0.62
▸ F2 P00734 1/20 0.55
▸ ACE2 Q9BYF1 7/20 0.54
▸ OPRK1 P41145 1/20 0.54
▸ STAT6 P42226 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
SCHEMBL20964446 1.00 ACE (0.62) ACEF2ACE2OPRK1STAT6
SCHEMBL10679400 0.85 ACE (0.66) ACEACE2
SCHEMBL20964447 0.83 OPRK1 (0.53) OPRK1
SCHEMBL20964445 0.83 OPRK1 (0.53) OPRK1
SCHEMBL29666779 0.81 ACE (0.62) ACEF2ACE2OPRK1
SCHEMBL31621499 0.81 ACE (0.64) ACEF2ACE2OPRK1
SCHEMBL10668559 0.81 ACE (0.68) ACEACE2
SCHEMBL30398539 0.81 F2 (0.59) F2OPRK1STAT6
SCHEMBL8250626 0.80 OPRM1 (0.60) ACEOPRK1
SCHEMBL9551626 0.80 ACE (0.66) ACEACE2

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-11220526-B2 Neuropeptide S receptor (NPSR) agonists RESEARCH TRIANGLE INSTITUTE (US) 2022-01-11 — — US disclosed
US-20190127419-A1 NEUROPEPTIDE S RECEPTOR (NPSR) AGONISTS RESEARCH TRIANGLE INSTITUTE 2019-05-02 — — 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 (2 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-20190127419-A1 NEUROPEPTIDE S RECEPTOR (NPSR) AGONISTS NPSR1, GRPR, NPBWR1 ACE 1354/4885F2 1628/4885ACE2 2700/4885
US-11220526-B2 Neuropeptide S receptor (NPSR) agonists NPSR1, GRPR, NPBWR1 ACE 1354/4885F2 1628/4885ACE2 2700/4885

“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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