SCHEMBL20964428

SCHEMBL20964428

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 2/20 0.58
▸ GRIN2A Q12879 2/20 0.58
▸ GRIA1 P42261 1/20 0.57
▸ FOLH1 Q04609 2/20 0.57
▸ PRSS1 P07477 1/20 0.56
▸ PRSS2 P07478 1/20 0.56
▸ PRSS3 P35030 1/20 0.56
▸ CALCRL Q16602 1/20 0.54
▸ ROCK2 O75116 1/20 0.53
▸ F2 P00734 2/20 0.53
▸ CTSL P07711 2/20 0.52
▸ CTSS P25774 1/20 0.52
▸ CTSK P43235 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ KMT2A Q03164 1/20 0.51
▸ KISS1R Q969F8 1/20 0.49
▸ CHRNA1 P02708 1/20 0.49
▸ CHRNG P07510 1/20 0.49
▸ CHRNB1 P11230 1/20 0.49
▸ CHRND Q07001 1/20 0.49

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
SCHEMBL24179835 0.90 PRSS1 (0.55) GRIN1GRIN2AGRIA1FOLH1PRSS1
SCHEMBL20964498 0.86 PRSS1 (0.55) GRIN1GRIN2AGRIA1FOLH1PRSS1
SCHEMBL20964423 0.85 PRSS1 (0.61) GRIN1GRIN2AGRIA1PRSS1PRSS2
SCHEMBL24179827 0.85 PRSS1 (0.58) GRIN1GRIN2AGRIA1FOLH1PRSS1
SCHEMBL20964417 0.85 TLR2 (0.59) GRIN1GRIN2AGRIA1FOLH1PRSS1
SCHEMBL20964439 0.84 PRSS1 (0.61) GRIN1GRIN2AGRIA1PRSS1PRSS2
SCHEMBL20964419 0.84 PRSS1 (0.56) GRIN1GRIN2AGRIA1PRSS1PRSS2
SCHEMBL20964436 0.83 PRSS1 (0.61) GRIN1GRIN2AGRIA1PRSS1PRSS2
SCHEMBL5703555 0.82 PRSS1 (0.59) GRIN1GRIN2AGRIA1PRSS1PRSS2
SCHEMBL20964412 0.81 PRSS1 (0.58) GRIN1GRIN2AGRIA1PRSS1PRSS2

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 GRIN1 191/4885GRIN2A 112/4885GRIA1 145/4885
US-11220526-B2 Neuropeptide S receptor (NPSR) agonists NPSR1, GRPR, NPBWR1 GRIN1 191/4885GRIN2A 112/4885GRIA1 145/4885

“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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