SCHEMBL20964469

SCHEMBL20964469

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

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.49
MMP2 P08253 1/20 0.49
GHSR Q92847 2/20 0.49
KISS1R Q969F8 4/20 0.48
QRFPR Q96P65 2/20 0.48
OPRK1 P41145 1/20 0.47
UTS2R Q9UKP6 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 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
SCHEMBL20964440 0.92 KISS1R (0.48) CTSLKISS1RQRFPR
SCHEMBL20964460 0.91 MMP2 (0.53) CTSLMMP2GHSRKISS1ROPRK1
SCHEMBL20964470 0.90 MMP2 (0.53) MMP2KISS1R
SCHEMBL20964474 0.90 MMP2 (0.50) CTSLMMP2GHSROPRK1UTS2R
SCHEMBL29972565 0.89 CTSL (0.51) CTSLMMP2GHSRQRFPROPRK1
SCHEMBL20964476 0.89 QRFPR (0.49) CTSLGHSRKISS1RQRFPRPRSS1
SCHEMBL20964448 0.88 QRFPR (0.48) CTSLKISS1RQRFPR
SCHEMBL20964477 0.88 CTSL (0.48) CTSLMMP2GHSRKISS1ROPRK1
SCHEMBL29389091 0.87 MMP2 (0.51) CTSLMMP2GHSROPRK1UTS2R
SCHEMBL30402753 0.87 GNPAT (0.58) MMP2OPRK1

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 CTSL 318/4885MMP2 2707/4885GHSR 14/4885
US-11220526-B2 Neuropeptide S receptor (NPSR) agonists NPSR1, GRPR, NPBWR1 CTSL 318/4885MMP2 2707/4885GHSR 14/4885

“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.