SCHEMBL20964498

SCHEMBL20964498

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

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 1/20 0.55
▸ PRSS2 P07478 1/20 0.55
▸ PRSS3 P35030 1/20 0.55
▸ GRIN1 Q05586 2/20 0.52
▸ GRIN2A Q12879 2/20 0.52
▸ GRIA1 P42261 1/20 0.51
▸ FOLH1 Q04609 2/20 0.51
▸ CTSL P07711 2/20 0.50
▸ CTSS P25774 1/20 0.50
▸ CTSK P43235 1/20 0.50
▸ F2 P00734 2/20 0.47
▸ ITGB3 P05106 1/20 0.47
▸ ITGA2B P08514 1/20 0.47
▸ CALCRL Q16602 1/20 0.47
▸ KISS1R Q969F8 1/20 0.46
▸ KLKB1 P03952 1/20 0.46
▸ CTSB P07858 1/20 0.46
▸ ROCK2 O75116 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
SCHEMBL24179835 0.92 PRSS1 (0.55) PRSS1PRSS2PRSS3GRIN1GRIN2A
SCHEMBL24179827 0.90 PRSS1 (0.58) PRSS1PRSS2PRSS3GRIN1GRIN2A
SCHEMBL20964423 0.90 PRSS1 (0.61) PRSS1PRSS2PRSS3GRIN1GRIN2A
SCHEMBL24179818 0.89 PRSS1 (0.51) PRSS1PRSS2PRSS3GRIN1GRIN2A
SCHEMBL20964417 0.87 TLR2 (0.59) PRSS1PRSS2PRSS3GRIN1GRIN2A
SCHEMBL20964497 0.87 CALCRL (0.58) GRIA1CTSLF2ITGB3ITGA2B
SCHEMBL20964428 0.86 GRIN1 (0.58) PRSS1PRSS2PRSS3GRIN1GRIN2A
SCHEMBL20964419 0.86 PRSS1 (0.56) PRSS1PRSS2PRSS3GRIN1GRIN2A
SCHEMBL20964471 0.86 PRSS1 (0.54) PRSS1PRSS2PRSS3GRIN1GRIN2A
SCHEMBL24179824 0.83 PRSS1 (0.54) PRSS1PRSS2PRSS3FOLH1CTSL

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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

“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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