SCHEMBL14864723

SCHEMBL14864723

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)CCCCCCCNC(=O)CCCCCCCN)C(C)C)C(N)=O

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GRPR P30550 15/20 0.72
▸ ITGB3 P05106 1/20 0.64
▸ ITGAV P06756 1/20 0.64

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
SCHEMBL16300490 0.94 GRPR (0.72) GRPRITGB3ITGAV
SCHEMBL4344249 0.93 GRPR (0.69) GRPR
SCHEMBL16301403 0.90 GRPR (0.86) GRPR
SCHEMBL28758393 0.90 GRPR (0.67) GRPR
SCHEMBL19102240 0.90 GRPR (0.69) GRPR
SCHEMBL16508339 0.90 GRPR (0.69) GRPR
SCHEMBL14985135 0.89 GRPR (0.64) GRPR
SCHEMBL13297337 0.89 GRPR (0.65) GRPR
SCHEMBL13297091 0.89 GRPR (0.65) GRPR
SCHEMBL1413932 0.89 GRPR (0.68) 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 11 patents. 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-8444954-B2 Gastrin releasing peptide compounds BRACCO IMAGING S.P.A. (IT) 2013-05-21 — — US disclosed
US-8420050-B2 Gastrin releasing peptide compounds BRACCO IMAGING S.P.A. (IT) 2013-04-16 — — US disclosed
US-20120009122-A1 GASTRIN RELEASING PEPTIDE COMPOUNDS BRACCO IMAGING S.P.A. (IT) 2012-01-12 — — US disclosed
US-20110250133-A1 GASTRIN RELEASING PEPTIDE COMPOUNDS BRACCO IMAGING S.P.A. (IT) 2011-10-13 — — 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
US-20110052491-A1 GASTRIN RELEASING PEPTIDE COMPOUNDS BRACCO IMAGING S.P.A. (IT) 2011-03-03 — — US disclosed
US-7850947-B2 Gastrin releasing peptide compounds BRACCO IMAGING S.P.A. (IT) 2010-12-14 — — US disclosed
US-7611692-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) 2009-11-03 — — US disclosed
US-20090175786-A1 Gastrin Releasing Peptide Compounds BRACCO IMAGING S.P.A. (IT) 2009-07-09 — — US disclosed
US-20080008649-A1 Gastrin Releasing Peptide Compounds BRACCO IMAGING S.P.A. (IT) 2008-01-10 — — 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-20130136691-A1 GASTRIN RELEASING PEPTIDE COMPOUNDS GRPR, GIPR, GHRHR GRPR 1/4885ITGB3 3120/4885ITGAV 3228/4885
US-20090175786-A1 Gastrin Releasing Peptide Compounds GRPR, SSTR5, GIPR GRPR 1/4885ITGB3 2040/4885ITGAV 2510/4885
US-20080008649-A1 Gastrin Releasing Peptide Compounds GRPR, SSTR5, GIPR GRPR 1/4885ITGB3 2040/4885ITGAV 2510/4885
US-20120009122-A1 GASTRIN RELEASING PEPTIDE COMPOUNDS GRPR, GIPR, CCKBR GRPR 1/4885ITGB3 2687/4885ITGAV 2858/4885
US-20110250133-A1 GASTRIN RELEASING PEPTIDE COMPOUNDS GRPR, GIPR, GHRHR GRPR 1/4885ITGB3 3120/4885ITGAV 3228/4885
US-20110052491-A1 GASTRIN RELEASING PEPTIDE COMPOUNDS GRPR, GIPR, CCKBR GRPR 1/4885ITGB3 3867/4885ITGAV 2960/4885

“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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