SCHEMBL20964468

SCHEMBL20964468

CN(C)CCOc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KIFC1 Q9BW19 1/20 0.43
GHSR Q92847 4/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
F2 P00734 2/20 0.42
FURIN P09958 1/20 0.42
HRH1 P35367 1/20 0.41
CTSL P07711 1/20 0.40

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
SCHEMBL24179838 0.90 GHSR (0.45) GHSRPRSS1PRSS2PRSS3F2
SCHEMBL20964463 0.87 GHSR (0.46) GHSRPRSS1PRSS2PRSS3F2
SCHEMBL20964423 0.80 PRSS1 (0.61) GHSRPRSS1PRSS2PRSS3CTSL
SCHEMBL24179837 0.79 PSMB5 (0.52) GHSRPRSS1PRSS2PRSS3FURIN
SCHEMBL20964477 0.78 CTSL (0.48) GHSRCTSL
SCHEMBL24179824 0.78 PRSS1 (0.54) PRSS1PRSS2PRSS3CTSL
SCHEMBL20964465 0.77 PRSS1 (0.54) PRSS1PRSS2PRSS3CTSL
SCHEMBL20964424 0.77 GHSR (0.55) GHSRPRSS1PRSS2PRSS3FURIN
SCHEMBL20964476 0.76 QRFPR (0.49) GHSRPRSS1PRSS2PRSS3HRH1
SCHEMBL20964453 0.76 PTPN1 (0.57) PRSS1PRSS2PRSS3CTSL

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 KIFC1 4721/4885GHSR 14/4885PRSS1 195/4885

“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.