SCHEMBL20964476

SCHEMBL20964476

CN[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
QRFPR Q96P65 3/20 0.49
GHSR Q92847 1/20 0.48
HRH1 P35367 1/20 0.47
KISS1R Q969F8 5/20 0.46
CTSL P07711 1/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
GNPAT O15228 1/20 0.46

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
SCHEMBL20964469 0.89 CTSL (0.49) QRFPRGHSRKISS1RCTSLPRSS1
SCHEMBL20964424 0.87 GHSR (0.55) QRFPRGHSRCTSLPRSS1PRSS2
SCHEMBL18499711 0.86 GHSR (0.55) GHSRCTSLGNPAT
SCHEMBL22845647 0.86 GHSR (0.55) GHSRCTSLGNPAT
SCHEMBL20964475 0.86 CALCRL (0.52) QRFPRHRH1KISS1RCTSLPRSS1
SCHEMBL20964423 0.85 PRSS1 (0.61) GHSRKISS1RCTSLPRSS1PRSS2
SCHEMBL20964453 0.85 PTPN1 (0.57) QRFPRCTSLPRSS1PRSS2PRSS3
SCHEMBL20964474 0.85 MMP2 (0.50) GHSRCTSL
SCHEMBL20964464 0.85 GHSR (0.51) GHSRKISS1RCTSLGNPAT
SCHEMBL20964425 0.84 CALCRL (0.53) QRFPRHRH1KISS1R

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 QRFPR 24/4885GHSR 14/4885HRH1 1606/4885
US-11220526-B2 Neuropeptide S receptor (NPSR) agonists NPSR1, GRPR, NPBWR1 QRFPR 24/4885GHSR 14/4885HRH1 1606/4885

“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.