SCHEMBL20964465

SCHEMBL20964465

COc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(N)=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.54
PRSS2 P07478 2/20 0.54
PRSS3 P35030 2/20 0.54
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
KLKB1 P03952 2/20 0.47
GPR139 Q6DWJ6 1/20 0.46
CA2 P00918 1/20 0.46
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
CTSL P07711 1/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
KISS1R Q969F8 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45

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
SCHEMBL20964423 0.91 PRSS1 (0.61) PRSS1PRSS2PRSS3ITGB3ITGA2B
SCHEMBL20964467 0.90 GPR139 (0.60) PRSS1PRSS2PRSS3KLKB1GPR139
SCHEMBL24179824 0.88 PRSS1 (0.54) PRSS1PRSS2PRSS3PTPN2PTPN1
SCHEMBL20964413 0.87 PRSS1 (0.57) PRSS1PRSS2PRSS3ITGB3ITGA2B
SCHEMBL20964463 0.85 GHSR (0.46) PRSS1PRSS2PRSS3CTSL
SCHEMBL24179827 0.85 PRSS1 (0.58) PRSS1PRSS2PRSS3ITGB3ITGA2B
SCHEMBL20964434 0.84 PRSS1 (0.54) PRSS1PRSS2PRSS3ITGB3ITGA2B
SCHEMBL24179837 0.83 PSMB5 (0.52) PRSS1PRSS2PRSS3ITGB3ITGA2B
SCHEMBL20964410 0.83 PRSS1 (0.57) PRSS1PRSS2PRSS3ITGB3ITGA2B
SCHEMBL20964419 0.83 PRSS1 (0.56) PRSS1PRSS2PRSS3ITGB3ITGA2B

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 PRSS1 195/4885PRSS2 395/4885PRSS3 375/4885
US-11220526-B2 Neuropeptide S receptor (NPSR) agonists NPSR1, GRPR, NPBWR1 PRSS1 195/4885PRSS2 395/4885PRSS3 375/4885

“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.