SCHEMBL16439025

SCHEMBL16439025

CC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CSSC[C@H](N)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 13/20 0.43
▸ NPY1R P25929 7/20 0.43
▸ NPY2R P49146 5/20 0.43
▸ NPY5R Q15761 5/20 0.43
▸ NOD1 Q9Y239 3/20 0.38
▸ NOS2 P35228 1/20 0.36
▸ FNTA P49354 1/20 0.35
▸ FNTB P49356 1/20 0.35
▸ PGGT1B P53609 1/20 0.35
▸ SIRT5 Q9NXA8 1/20 0.35
▸ DDAH1 O94760 1/20 0.35

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
SCHEMBL18760234 0.90 NPY4R (0.48) NPY4RNPY1RNPY2RNPY5RNOD1
SCHEMBL16690663 0.90 NPY4R (0.48) NPY4RNPY1RNPY2RNPY5RNOD1
SCHEMBL18760211 0.90 NPY4R (0.48) NPY4RNPY1RNPY2RNPY5RNOD1
SCHEMBL16690636 0.90 NPY4R (0.48) NPY4RNPY1RNPY2RNPY5RNOD1
SCHEMBL18760235 0.90 NPY4R (0.48) NPY4RNPY1RNPY2RNPY5RNOD1
SCHEMBL23873721 0.84 NPY4R (0.45) NPY4RNPY1RNPY2RNPY5RSIRT5
Cystine SCHEMBL12475493 0.83 DDAH1 (0.48) NOS2DDAH1
Cystine SCHEMBL12475490 0.83 DDAH1 (0.48) NOS2DDAH1
Etelcalcetide SCHEMBL20869502 0.82 SIRT5 (0.44) NPY4RNPY1RNPY2RNPY5RSIRT5
Etelcalcetide SCHEMBL20869503 0.82 SIRT5 (0.44) NPY4RNPY1RNPY2RNPY5RSIRT5

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-20150038671-A1 Efficient Synthesis of CN2097 and RC7 and Their Analogs RHODE ISLAND BOARD OF EDUCATION, STATE OF RHODE ISLAND AND PROVIDENCE PLANTATIONS 2015-02-05 — — 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-20150038671-A1 Efficient Synthesis of CN2097 and RC7 and Their Analogs MRPS27, CNOT7, PRMT7 NPY4R 386/4885NPY1R 360/4885NPY2R 393/4885

“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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