SCHEMBL30744249

SCHEMBL30744249

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

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GNPAT O15228 1/20 0.57
ITGB3 P05106 2/20 0.51
ITGA2B P08514 2/20 0.51
SLC15A2 Q16348 1/20 0.51
ERAP2 Q6P179 1/20 0.51
LNPEP Q9UIQ6 1/20 0.51
CALCRL Q16602 2/20 0.50
ECE1 P42892 1/20 0.49
CHRNA1 P02708 1/20 0.49
CHRNG P07510 1/20 0.49
CHRNB1 P11230 1/20 0.49
CHRND Q07001 1/20 0.49
OPRK1 P41145 2/20 0.49
CPB2 Q96IY4 1/20 0.48
QRFPR Q96P65 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
SCHEMBL31556273 0.89 GNPAT (0.60) GNPATITGB3ITGA2BSLC15A2ERAP2
SCHEMBL1711945 0.89 SLC15A2 (0.62) GNPATITGB3ITGA2BSLC15A2ERAP2
SCHEMBL1711937 0.89 SLC15A2 (0.62) GNPATITGB3ITGA2BSLC15A2ERAP2
SCHEMBL30402874 0.89 GNPAT (0.55) GNPATITGB3ITGA2BSLC15A2ERAP2
SCHEMBL31181180 0.87 ERAP2 (0.57) GNPATERAP2LNPEPOPRK1
SCHEMBL30900769 0.85 SLC15A2 (0.58) GNPATITGB3ITGA2BSLC15A2ERAP2
SCHEMBL1711765 0.84 GNPAT (0.63) GNPATERAP2LNPEPECE1OPRK1
SCHEMBL3801759 0.84 GNPAT (0.78) GNPATITGB3ITGA2BERAP2LNPEP
SCHEMBL1711598 0.84 GNPAT (0.63) GNPATERAP2LNPEPECE1OPRK1
SCHEMBL1711769 0.84 GNPAT (0.63) GNPATERAP2LNPEPECE1OPRK1

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-11891457-B2 Peptide-compound cyclization method CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-02-06 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-11891457-B2 Peptide-compound cyclization method VIP, NGLY1, GLP1R GNPAT 2493/4885ITGB3 4288/4885ITGA2B 4447/4885

“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.