SCHEMBL20964457

SCHEMBL20964457

CCCN(CCC)CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 4/20 0.54
▸ MDM2 Q00987 6/20 0.54
▸ MDM4 O15151 2/20 0.50
▸ TP53 P04637 2/20 0.50
▸ CASP3 P42574 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
SCHEMBL19454011 0.94 TLR2 (0.51) TLR2MDM2MDM4TP53CASP3
SCHEMBL31191799 0.91 CASP3 (0.53) TLR2MDM2MDM4TP53CASP3
SCHEMBL13402594 0.89 TLR2 (0.64) TLR2MDM2MDM4TP53CASP3
SCHEMBL30063023 0.89 TLR2 (0.64) TLR2MDM2MDM4TP53CASP3
SCHEMBL30802520 0.89 TLR2 (0.64) TLR2MDM2MDM4TP53CASP3
SCHEMBL14996025 0.89 TLR2 (0.64) TLR2MDM2MDM4TP53CASP3
SCHEMBL14497949 0.89 TLR2 (0.64) TLR2MDM2MDM4TP53CASP3
SCHEMBL30564479 0.89 TLR2 (0.64) TLR2MDM2MDM4TP53CASP3
SCHEMBL14024490 0.89 MDM2 (0.53) TLR2MDM2MDM4TP53CASP3
SCHEMBL800121 0.89 MDM2 (0.56) TLR2MDM2MDM4TP53CASP3

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 1090/4885MDM2 4634/4885MDM4 4756/4885
US-11220526-B2 Neuropeptide S receptor (NPSR) agonists NPSR1, GRPR, NPBWR1 TLR2 1090/4885MDM2 4634/4885MDM4 4756/4885

“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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