SCHEMBL25845686

SCHEMBL25845686

CC[C@@H](C)[C@H](NC(=O)C(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)C(NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C(C)Cc1c[nH]c2ccccc12)[C@H](C)O)C(C)C)C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NMBR P28336 2/20 0.58
▸ GRPR P30550 2/20 0.58
▸ IL23R Q5VWK5 1/20 0.57
▸ KISS1R Q969F8 5/20 0.57
▸ NPY1R P25929 1/20 0.53
▸ NPY2R P49146 1/20 0.53
▸ NPY4R P50391 1/20 0.53
▸ NPY5R Q15761 1/20 0.53
▸ CCKBR P32239 4/20 0.53
▸ F2 P00734 3/20 0.51
▸ PRLHR P49683 1/20 0.51
▸ GLP1R P43220 2/20 0.50

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
SCHEMBL14930601 1.00 NMBR (0.58) NMBRGRPRIL23RKISS1RNPY1R
SCHEMBL14930600 1.00 NMBR (0.58) NMBRGRPRIL23RKISS1RNPY1R
SCHEMBL25845909 0.94 NMBR (0.66) NMBRGRPRIL23RKISS1RNPY1R
SCHEMBL25845917 0.94 NMBR (0.66) NMBRGRPRIL23RKISS1RNPY1R
SCHEMBL22872738 0.91 NPY1R (0.61) NMBRGRPRNPY1RNPY2RNPY4R
SCHEMBL25845603 0.90 NTSR1 (0.54) NPY2RNPY4RNPY5RF2
SCHEMBL25846293 0.90 NTSR1 (0.54) NPY2RNPY4RNPY5RF2
SCHEMBL31038378 0.88 NMBR (0.63) NMBRGRPRCCKBRF2GLP1R
SCHEMBL22807694 0.87 NPY1R (0.62) NPY1RNPY2RNPY4RNPY5RPRLHR
SCHEMBL29496930 0.87 NPY1R (0.62) NPY1RNPY2RNPY4RNPY5RPRLHR

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-11708393-B2 Targeted non-invasive imaging probes of EGFR expressing cells CASE WESTERN RESERVE UNIVERSITY (US) 2023-07-25 — — 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-11708393-B2 Targeted non-invasive imaging probes of EGFR expressing cells EGFR, ERBB2, ERBB3 NMBR 108/4885GRPR 70/4885IL23R 238/4885

“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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