SCHEMBL20964460

SCHEMBL20964460

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

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.53
ERAP2 Q6P179 1/20 0.50
LNPEP Q9UIQ6 1/20 0.50
OPRK1 P41145 1/20 0.50
CTSL P07711 1/20 0.47
GHSR Q92847 2/20 0.47
KISS1R Q969F8 4/20 0.47

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
SCHEMBL29679650 0.93 ERAP2 (0.55) MMP2ERAP2LNPEPOPRK1
SCHEMBL30099540 0.92 MMP2 (0.56) MMP2ERAP2LNPEPOPRK1CTSL
SCHEMBL20964469 0.91 CTSL (0.49) MMP2OPRK1CTSLGHSRKISS1R
SCHEMBL6431108 0.91 MMP2 (0.56) MMP2ERAP2LNPEPOPRK1CTSL
SCHEMBL30688828 0.91 MMP2 (0.56) MMP2ERAP2LNPEPOPRK1CTSL
SCHEMBL28323436 0.91 MMP2 (0.56) MMP2ERAP2LNPEPOPRK1CTSL
SCHEMBL20964474 0.90 MMP2 (0.50) MMP2OPRK1CTSLGHSR
SCHEMBL29641053 0.89 MMP2 (0.53) MMP2ERAP2LNPEPOPRK1CTSL
SCHEMBL29408578 0.88 ERAP2 (0.53) MMP2ERAP2LNPEPOPRK1
SCHEMBL29763133 0.88 BACE1 (0.53) ERAP2LNPEP

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 MMP2 2707/4885ERAP2 1105/4885LNPEP 373/4885
US-11220526-B2 Neuropeptide S receptor (NPSR) agonists NPSR1, GRPR, NPBWR1 MMP2 2707/4885ERAP2 1105/4885LNPEP 373/4885

“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.