SCHEMBL20964411

SCHEMBL20964411

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

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 5/20 0.57
▸ CTSS P25774 3/20 0.57
▸ CTSK P43235 3/20 0.57
▸ PRSS1 P07477 1/20 0.54
▸ PRSS2 P07478 1/20 0.54
▸ PRSS3 P35030 1/20 0.54
▸ ITGB3 P05106 1/20 0.53
▸ ITGA2B P08514 1/20 0.53
▸ CTSB P07858 4/20 0.52
▸ ERAP2 Q6P179 1/20 0.51
▸ LNPEP Q9UIQ6 1/20 0.51
▸ FOLH1 Q04609 2/20 0.50
▸ GRIN1 Q05586 1/20 0.48
▸ GRIN2A Q12879 1/20 0.48
▸ GNPAT O15228 1/20 0.48
▸ GRIA1 P42261 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
SCHEMBL20964412 0.93 PRSS1 (0.58) CTSLCTSSCTSKPRSS1PRSS2
SCHEMBL24179827 0.85 PRSS1 (0.58) CTSLCTSSCTSKPRSS1PRSS2
SCHEMBL28206145 0.83 GRIA1 (0.64) CTSLPRSS1PRSS2PRSS3ITGB3
SCHEMBL20964439 0.82 PRSS1 (0.61) CTSLCTSSCTSKPRSS1PRSS2
SCHEMBL20964423 0.81 PRSS1 (0.61) CTSLCTSSCTSKPRSS1PRSS2
SCHEMBL20964436 0.81 PRSS1 (0.61) CTSLCTSSCTSKPRSS1PRSS2
SCHEMBL5703555 0.80 PRSS1 (0.59) CTSLCTSSCTSKPRSS1PRSS2
SCHEMBL20964419 0.80 PRSS1 (0.56) CTSLCTSSCTSKPRSS1PRSS2
SCHEMBL20964428 0.80 GRIN1 (0.58) CTSLCTSSCTSKPRSS1PRSS2
SCHEMBL4357736 0.78 ACE (0.68) CTSLCTSSCTSKCTSB

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 CTSL 318/4885CTSS 199/4885CTSK 750/4885
US-11220526-B2 Neuropeptide S receptor (NPSR) agonists NPSR1, GRPR, NPBWR1 CTSL 318/4885CTSS 199/4885CTSK 750/4885

“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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