SCHEMBL20964463

SCHEMBL20964463

COc1ccccc1C(=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 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
PSMB5 P28074 2/20 0.45
F2 P00734 2/20 0.45
CAPN1 P07384 2/20 0.45
SSTR3 P32745 1/20 0.44
HRH1 P35367 1/20 0.44
CTSL P07711 1/20 0.44

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
SCHEMBL24179838 0.89 GHSR (0.45) GHSRPRSS1PRSS2PRSS3F2
SCHEMBL20964468 0.87 KIFC1 (0.43) GHSRPRSS1PRSS2PRSS3F2
SCHEMBL20964465 0.85 PRSS1 (0.54) PRSS1PRSS2PRSS3CTSL
SCHEMBL20964423 0.85 PRSS1 (0.61) GHSRPRSS1PRSS2PRSS3CTSL
SCHEMBL24179837 0.83 PSMB5 (0.52) GHSRPRSS1PRSS2PRSS3PSMB5
SCHEMBL20964467 0.83 GPR139 (0.60) PRSS1PRSS2PRSS3CTSL
SCHEMBL24179824 0.82 PRSS1 (0.54) PRSS1PRSS2PRSS3CTSL
SCHEMBL20964477 0.82 CTSL (0.48) GHSRSSTR3CTSL
SCHEMBL20964424 0.82 GHSR (0.55) GHSRPRSS1PRSS2PRSS3PSMB5
SCHEMBL20964413 0.81 PRSS1 (0.57) GHSRPRSS1PRSS2PRSS3SSTR3

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 GHSR 14/4885PRSS1 195/4885PRSS2 395/4885
US-11220526-B2 Neuropeptide S receptor (NPSR) agonists NPSR1, GRPR, NPBWR1 GHSR 14/4885PRSS1 195/4885PRSS2 395/4885

“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.