SCHEMBL20964471

SCHEMBL20964471

NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)NCC1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 3/20 0.54
▸ F10 P00742 2/20 0.54
▸ PRSS2 P07478 1/20 0.51
▸ PRSS3 P35030 1/20 0.51
▸ CHRNB2 P17787 2/20 0.50
▸ CHRNB4 P30926 2/20 0.50
▸ CHRNA3 P32297 2/20 0.50
▸ CHRNA4 P43681 2/20 0.50
▸ BDKRB1 P46663 1/20 0.49
▸ GRIN1 Q05586 2/20 0.46
▸ GRIN2A Q12879 2/20 0.46
▸ GRM1 Q13255 1/20 0.46
▸ FOLH1 Q04609 2/20 0.46
▸ F2R P25116 1/20 0.45
▸ GRIA1 P42261 1/20 0.45
▸ NMT2 O60551 1/20 0.45
▸ NMT1 P30419 1/20 0.45
▸ F2 P00734 1/20 0.45
▸ CPB2 Q96IY4 1/20 0.45
▸ CTSL P07711 3/20 0.44

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
SCHEMBL24179829 0.86 CHRNB2 (0.50) PRSS1F10PRSS2PRSS3CHRNB2
SCHEMBL20964498 0.86 PRSS1 (0.55) PRSS1PRSS2PRSS3GRIN1GRIN2A
SCHEMBL20964423 0.84 PRSS1 (0.61) PRSS1PRSS2PRSS3GRIN1GRIN2A
SCHEMBL24179827 0.84 PRSS1 (0.58) PRSS1PRSS2PRSS3GRIN1GRIN2A
SCHEMBL20964417 0.81 TLR2 (0.59) PRSS1PRSS2PRSS3CHRNB2CHRNB4
SCHEMBL20964428 0.80 GRIN1 (0.58) PRSS1PRSS2PRSS3CHRNB2CHRNB4
SCHEMBL20964419 0.80 PRSS1 (0.56) PRSS1PRSS2PRSS3GRIN1GRIN2A
SCHEMBL24179818 0.79 PRSS1 (0.51) PRSS1PRSS2PRSS3GRIN1GRIN2A
SCHEMBL20964454 0.79 CDYL2 (0.56) CHRNB2CHRNB4CHRNA3CHRNA4GRIN1
SCHEMBL24179835 0.78 PRSS1 (0.55) PRSS1PRSS2PRSS3GRIN1GRIN2A

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 195/4885F10 3263/4885PRSS2 395/4885

“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.

Send feedback