SCHEMBL20964474

SCHEMBL20964474

CCC[C@H](N)C(=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 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.50
GHSR Q92847 1/20 0.49
OPRK1 P41145 1/20 0.48
CTSL P07711 1/20 0.48
NPY4R P50391 4/20 0.47
NPY1R P25929 3/20 0.47
NPY2R P49146 3/20 0.47
SSTR3 P32745 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
FURIN P09958 1/20 0.46
UTS2R Q9UKP6 1/20 0.46
NPY5R Q15761 1/20 0.46

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
SCHEMBL24179808 0.91 GHSR (0.53) MMP2GHSROPRK1CTSLNPY4R
SCHEMBL20964469 0.90 CTSL (0.49) MMP2GHSROPRK1CTSLUTS2R
SCHEMBL20964460 0.90 MMP2 (0.53) MMP2GHSROPRK1CTSL
SCHEMBL20964477 0.88 CTSL (0.48) MMP2GHSROPRK1CTSLSSTR3
SCHEMBL20964424 0.88 GHSR (0.55) GHSRCTSLNPY4RNPY1RNPY2R
SCHEMBL20964425 0.87 CALCRL (0.53) SSTR3FURIN
SCHEMBL20964470 0.86 MMP2 (0.53) MMP2
SCHEMBL20964464 0.86 GHSR (0.51) GHSRCTSLSSTR3
SCHEMBL29389091 0.85 MMP2 (0.51) MMP2GHSROPRK1CTSLNPY4R
SCHEMBL30799638 0.85 MMP2 (0.56) MMP2OPRK1NPY4RNPY1RNPY2R

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 MMP2 2707/4885GHSR 14/4885OPRK1 50/4885

“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.