SCHEMBL25845492

SCHEMBL25845492

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

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NTSR1 P30989 3/20 0.54
▸ F2 P00734 4/20 0.52
▸ NTSR2 O95665 1/20 0.52
▸ SLC6A2 P23975 1/20 0.51
▸ OPRD1 P41143 2/20 0.50
▸ OXTR P30559 1/20 0.50
▸ EP300 Q09472 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ NPY1R P25929 1/20 0.49
▸ NPY2R P49146 1/20 0.49
▸ NPY4R P50391 1/20 0.49
▸ NPY5R Q15761 1/20 0.49

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
SCHEMBL25845603 0.96 NTSR1 (0.54) NTSR1F2NTSR2SLC6A2OPRD1
SCHEMBL25846293 0.96 NTSR1 (0.54) NTSR1F2NTSR2SLC6A2OPRD1
SCHEMBL25845887 0.93 OPRD1 (0.56) NTSR1F2NTSR2SLC6A2OPRD1
SCHEMBL25845490 0.92 SLC6A2 (0.55) NTSR1F2NTSR2SLC6A2OXTR
SCHEMBL14930602 0.90 AGTR2 (0.55) NTSR1F2NTSR2SLC6A2OXTR
SCHEMBL14930600 0.86 NMBR (0.58) F2NPY1RNPY2RNPY4RNPY5R
SCHEMBL14930601 0.86 NMBR (0.58) F2NPY1RNPY2RNPY4RNPY5R
SCHEMBL25845686 0.86 NMBR (0.58) F2NPY1RNPY2RNPY4RNPY5R
SCHEMBL25845917 0.82 NMBR (0.66) F2NPY1RNPY2RNPY4RNPY5R
SCHEMBL25845909 0.82 NMBR (0.66) F2NPY1RNPY2RNPY4RNPY5R

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 NTSR1 265/4885F2 3313/4885NTSR2 455/4885

“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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