SCHEMBL20964417

SCHEMBL20964417

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 1/20 0.59
▸ GRIA1 P42261 1/20 0.58
▸ GRIN1 Q05586 2/20 0.56
▸ GRIN2A Q12879 2/20 0.56
▸ F2 P00734 2/20 0.56
▸ FOLH1 Q04609 2/20 0.55
▸ SIRT1 Q96EB6 3/20 0.53
▸ SIRT2 Q8IXJ6 2/20 0.53
▸ SIRT3 Q9NTG7 2/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ CHRNB2 P17787 1/20 0.52
▸ CHRNB4 P30926 1/20 0.52
▸ CHRNA3 P32297 1/20 0.52
▸ CHRNA4 P43681 1/20 0.52
▸ ROCK2 O75116 1/20 0.51
▸ SIRT6 Q8N6T7 1/20 0.51
▸ PRSS1 P07477 1/20 0.51
▸ PRSS2 P07478 1/20 0.51
▸ PRSS3 P35030 1/20 0.51
▸ CHRNA1 P02708 1/20 0.50

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
SCHEMBL20964498 0.87 PRSS1 (0.55) GRIA1GRIN1GRIN2AF2FOLH1
SCHEMBL20964428 0.85 GRIN1 (0.58) GRIA1GRIN1GRIN2AF2FOLH1
SCHEMBL24179827 0.85 PRSS1 (0.58) GRIA1GRIN1GRIN2AFOLH1PRSS1
SCHEMBL20964423 0.85 PRSS1 (0.61) GRIA1GRIN1GRIN2AROCK2PRSS1
SCHEMBL24179828 0.85 FOLH1 (0.47) GRIA1FOLH1SIRT1SIRT2SIRT3
SCHEMBL20964419 0.83 PRSS1 (0.56) GRIA1GRIN1GRIN2AF2PRSS1
SCHEMBL20964435 0.83 KISS1R (0.53) L3MBTL1PRSS1PRSS2PRSS3
SCHEMBL24179826 0.82 TLR2 (0.47) TLR2GRIN1GRIN2ASIRT1SIRT2
SCHEMBL20964420 0.82 TLR2 (0.47) TLR2GRIN1GRIN2ASIRT1SIRT2
SCHEMBL24179818 0.82 PRSS1 (0.51) GRIA1GRIN1GRIN2AF2FOLH1

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 TLR2 1090/4885GRIA1 145/4885GRIN1 191/4885
US-11220526-B2 Neuropeptide S receptor (NPSR) agonists NPSR1, GRPR, NPBWR1 TLR2 1090/4885GRIA1 145/4885GRIN1 191/4885

“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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