SCHEMBL20964436

SCHEMBL20964436

C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(N)=O

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 2/20 0.61
▸ PRSS2 P07478 2/20 0.61
▸ PRSS3 P35030 2/20 0.61
▸ KISS1R Q969F8 1/20 0.53
▸ PSMB5 P28074 2/20 0.52
▸ CTSL P07711 2/20 0.51
▸ CTSS P25774 1/20 0.51
▸ CTSK P43235 1/20 0.51
▸ ITGB3 P05106 1/20 0.50
▸ ITGA2B P08514 1/20 0.50
▸ GRIN1 Q05586 1/20 0.50
▸ GRIN2A Q12879 1/20 0.50
▸ FURIN P09958 1/20 0.50
▸ GHSR Q92847 1/20 0.49
▸ GRIA1 P42261 1/20 0.49
▸ F2 P00734 1/20 0.48

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
SCHEMBL1371634 0.88 FURIN (0.51) PRSS1PRSS2PRSS3CTSLFURIN
SCHEMBL20964439 0.88 PRSS1 (0.61) PRSS1PRSS2PRSS3KISS1RCTSL
SCHEMBL20964419 0.88 PRSS1 (0.56) PRSS1PRSS2PRSS3KISS1RPSMB5
SCHEMBL20964423 0.87 PRSS1 (0.61) PRSS1PRSS2PRSS3KISS1RCTSL
SCHEMBL5703555 0.87 PRSS1 (0.59) PRSS1PRSS2PRSS3KISS1RCTSL
SCHEMBL20964413 0.86 PRSS1 (0.57) PRSS1PRSS2PRSS3KISS1RCTSL
SCHEMBL20964410 0.86 PRSS1 (0.57) PRSS1PRSS2PRSS3KISS1RPSMB5
SCHEMBL24179827 0.85 PRSS1 (0.58) PRSS1PRSS2PRSS3CTSLCTSS
SCHEMBL20964412 0.85 PRSS1 (0.58) PRSS1PRSS2PRSS3KISS1RCTSL
SCHEMBL20964428 0.83 GRIN1 (0.58) PRSS1PRSS2PRSS3KISS1RCTSL

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.

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