SCHEMBL25845917

SCHEMBL25845917

CC[C@@H](C)[C@H](NC(=O)C(NC(=O)[C@H](CC(N)=O)NC(=O)C(CCC(N)=O)NC(=O)C1CCCN1C(=O)C(NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)[C@@H](C)Cc1c[nH]cn1)[C@H](C)O)C(C)C)C(N)=O

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NMBR P28336 2/20 0.66
▸ GRPR P30550 2/20 0.66
▸ F2 P00734 4/20 0.57
▸ CCKBR P32239 2/20 0.56
▸ GLP1R P43220 2/20 0.56
▸ C5AR1 P21730 2/20 0.55
▸ IL23R Q5VWK5 1/20 0.54
▸ CALCR P30988 4/20 0.54
▸ KISS1R Q969F8 2/20 0.54
▸ NPY1R P25929 1/20 0.53
▸ NPY2R P49146 1/20 0.53
▸ NPY4R P50391 1/20 0.53
▸ NPY5R Q15761 1/20 0.53

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
SCHEMBL25845909 1.00 NMBR (0.66) NMBRGRPRF2CCKBRGLP1R
SCHEMBL25845686 0.94 NMBR (0.58) NMBRGRPRF2CCKBRGLP1R
SCHEMBL14930601 0.94 NMBR (0.58) NMBRGRPRF2CCKBRGLP1R
SCHEMBL14930600 0.94 NMBR (0.58) NMBRGRPRF2CCKBRGLP1R
SCHEMBL31038378 0.93 NMBR (0.63) NMBRGRPRF2CCKBRGLP1R
SCHEMBL25460022 0.92 NMBR (0.63) NMBRGRPRF2CCKBRGLP1R
SCHEMBL30891928 0.92 NMBR (0.63) NMBRGRPRF2CCKBRGLP1R
SCHEMBL25460148 0.90 NMBR (0.65) NMBRGRPRF2CCKBRGLP1R
SCHEMBL22872738 0.89 NPY1R (0.61) NMBRGRPRGLP1RNPY1RNPY2R
SCHEMBL29496930 0.86 NPY1R (0.62) GLP1RNPY1RNPY2RNPY4RNPY5R

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 70/4885F2 3313/4885

“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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