SCHEMBL1393352

SCHEMBL1393352

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(CCC(N)=O)NC(=O)COc1ccc(CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)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
SCHEMBL1252165 1.00 GRPR (0.87) GRPR
SCHEMBL1618509 0.95 GRPR (0.85) GRPR
SCHEMBL1250077 0.95 GRPR (0.85) GRPR
SCHEMBL1404316 0.94 GRPR (0.78) GRPR
SCHEMBL1252581 0.94 GRPR (0.86) GRPR
SCHEMBL1251604 0.91 GRPR (0.86) GRPR
SCHEMBL1252405 0.91 GRPR (0.86) GRPR
SCHEMBL1618733 0.91 GRPR (0.86) GRPR
SCHEMBL16301405 0.91 GRPR (0.83) GRPR
SCHEMBL1249991 0.91 GRPR (0.86) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8444954-B2 Gastrin releasing peptide compounds BRACCO IMAGING S.P.A. (IT) 2013-05-21 US disclosed
US-20120009122-A1 GASTRIN RELEASING PEPTIDE COMPOUNDS BRACCO IMAGING S.P.A. (IT) 2012-01-12 US disclosed
US-7922998-B2 bombesin, derivatives and/or analogues capable of complexing metal ions, radionuclides or optical labels, for use in radiotherapy BRACCO IMAGING S.P.A. (IT) 2011-04-12 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-20120009122-A1 GASTRIN RELEASING PEPTIDE COMPOUNDS GRPR, GIPR, CCKBR 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.