SCHEMBL14403027

SCHEMBL14403027

CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1(N)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)CC[C@@H](C)[C@H]1CCC2C3C(C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@H](NC(=O)COCCOCCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CC1C[C@H]3O)C(C)C)C(N)=O

nearest known ligand 0.88

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GRPR P30550 20/20 0.88

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
SCHEMBL2292367 0.94 GRPR (0.90) GRPR
SCHEMBL16317573 0.94 GRPR (0.90) GRPR
SCHEMBL2292312 0.94 GRPR (0.90) GRPR
SCHEMBL12419878 0.93 GRPR (0.87) GRPR
SCHEMBL16342119 0.93 GRPR (0.86) GRPR
SCHEMBL1357915 0.91 GRPR (0.85) GRPR
SCHEMBL1357888 0.91 GRPR (0.85) GRPR
SCHEMBL14845580 0.88 GRPR (0.79) GRPR
SCHEMBL14973439 0.88 GRPR (0.89) GRPR
SCHEMBL1251635 0.88 GRPR (0.89) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070231257-A1 Radiodiagnosis, radiotherapy BRACCO IMAGING S.P.A. (IT) 2007-10-04 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-20070231257-A1 Radiodiagnosis, radiotherapy GRPR, MRGPRX2, MRGPRX1 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.