SCHEMBL1251619

SCHEMBL1251619

CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)c([N+](=O)[O-])c1)C(C)C)C(N)=O

nearest known ligand 0.87

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GRPR P30550 20/20 0.87

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
SCHEMBL1392489 0.93 GRPR (0.86) GRPR
SCHEMBL1251596 0.93 GRPR (0.86) GRPR
SCHEMBL1252581 0.93 GRPR (0.86) GRPR
SCHEMBL1252405 0.92 GRPR (0.86) GRPR
SCHEMBL16350127 0.91 GRPR (0.73) GRPR
SCHEMBL1249991 0.91 GRPR (0.86) GRPR
SCHEMBL16301387 0.91 GRPR (0.86) GRPR
SCHEMBL5497300 0.91 GRPR (0.86) GRPR
SCHEMBL1618776 0.91 GRPR (0.86) GRPR
SCHEMBL1618505 0.90 GRPR (0.92) GRPR

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130136691-A1 GASTRIN RELEASING PEPTIDE COMPOUNDS BRACCO IMAGING S.P.A. (IT) 2013-05-30 US disclosed
US-20130136691-A1 GASTRIN RELEASING PEPTIDE COMPOUNDS BRACCO IMAGING S.P.A. (IT) 2013-05-30 US disclosed
US-8444954-B2 Gastrin releasing peptide compounds BRACCO IMAGING S.P.A. (IT) 2013-05-21 US disclosed
US-8444954-B2 Gastrin releasing peptide compounds BRACCO IMAGING S.P.A. (IT) 2013-05-21 US disclosed
US-8420053-B2 Gastrin releasing peptide compounds BRACCO IMAGING S.P.A. (IT) 2013-04-16 US disclosed
US-8420050-B2 Gastrin releasing peptide compounds BRACCO IMAGING S.P.A. (IT) 2013-04-16 US disclosed
US-8420050-B2 Gastrin releasing peptide compounds BRACCO IMAGING S.P.A. (IT) 2013-04-16 US disclosed
US-8414864-B2 Bombesin capable of complexing with metal ions, radionuclides, or optical labels; radiotherapy BRACCO IMAGING S.P.A. (IT) 2013-04-09 US disclosed
EP-2500040-A1 Improved Gastrin Releasing Peptide Receptor-Binding Compounds Bracco Imaging S.p.A (IT) 2012-09-19 EP disclosed
EP-2500040-A1 Improved Gastrin Releasing Peptide Receptor-Binding Compounds Bracco Imaging S.p.A (IT) 2012-09-19 EP disclosed
WO-2007095443-A2 GASTRIN RELEASING PEPTIDE COMPOUNDS BRACCO IMAGING S.P.A. (IT) 2007-08-23 WO disclosed
US-7226577-B2 Gastrin releasing peptide compounds BRACCO IMAGING, S. P. A. (IT) 2007-06-05 US disclosed
US-7226577-B2 Gastrin releasing peptide compounds BRACCO IMAGING, S. P. A. (IT) 2007-06-05 US disclosed
US-20060239914-A1 Gastrin releasing peptide compounds BRACCO IMAGING S.P.A. (IT) 2006-10-26 US disclosed
US-20060239923-A1 Gastrin releasing peptide compounds BRACCO IMAGING S.P.A. (IT) 2006-10-26 US disclosed
EP-1706154-A1 IMPROVED GASTRIN RELEASING PEPTIDE COMPOUNDS Bracco Imaging, S.P.A. (IT) 2006-10-04 EP disclosed
US-20060018830-A1 Gastrin releasing peptide compounds BRACCO IMAGING S.P.A. (IT) 2006-01-26 US disclosed
WO-2005067983-A1 IMPROVED GASTRIN RELEASING PEPTIDE COMPOUNDS BRACCO IMAGING S.P.A. (IT) 2005-07-28 WO disclosed
US-20040253225-A1 bombesin, derivatives and/or analogues capable of complexing metal ions, radionuclides or optical labels, for use in radiotherapy BRACCO IMAGING S.P.A. (IT) 2004-12-16 US disclosed
US-20040136906-A1 Gastrin releasing peptide compounds BRACCO IMAGING S.P.A. (IT) 2004-07-15 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 (6 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-20060239914-A1 Gastrin releasing peptide compounds GRPR, GIPR, CCKBR GRPR 1/4885
US-20130136691-A1 GASTRIN RELEASING PEPTIDE COMPOUNDS GRPR, GIPR, GHRHR GRPR 1/4885
US-20040253225-A1 bombesin, derivatives and/or analogues capable of complexing metal ions, radionuclides or optical labels, for use in radiotherapy GRPR, MLNR, NPBWR1 GRPR 1/4885
US-20060239923-A1 Gastrin releasing peptide compounds GRPR, GIPR, CCKBR GRPR 1/4885
US-20060018830-A1 Gastrin releasing peptide compounds GRPR, GIPR, CCKBR GRPR 1/4885
US-20040136906-A1 Gastrin releasing peptide compounds GRPR, GIPR, MLNR GRPR 1/4885

“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.