SCHEMBL25845887

SCHEMBL25845887

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

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 6/20 0.56
▸ SLC6A2 P23975 1/20 0.55
▸ CALCRL Q16602 2/20 0.53
▸ NTSR1 P30989 2/20 0.53
▸ NTSR2 O95665 1/20 0.53
▸ F2 P00734 1/20 0.52
▸ EP300 Q09472 1/20 0.51
▸ HIF1A Q16665 1/20 0.51

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 0.95 NTSR1 (0.54) OPRD1SLC6A2NTSR1NTSR2F2
SCHEMBL25846293 0.95 NTSR1 (0.54) OPRD1SLC6A2NTSR1NTSR2F2
SCHEMBL14930602 0.93 AGTR2 (0.55) SLC6A2CALCRLNTSR1NTSR2F2
SCHEMBL25845492 0.93 NTSR1 (0.54) OPRD1SLC6A2NTSR1NTSR2F2
SCHEMBL25845490 0.89 SLC6A2 (0.55) SLC6A2CALCRLNTSR1NTSR2F2
SCHEMBL25845686 0.87 NMBR (0.58) F2
SCHEMBL14930600 0.87 NMBR (0.58) F2
SCHEMBL14930601 0.87 NMBR (0.58) F2
SCHEMBL22872738 0.86 NPY1R (0.61) —
SCHEMBL31233798 0.85 SLC6A2 (0.63) SLC6A2CALCRLNTSR1NTSR2

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 OPRD1 3041/4885SLC6A2 2289/4885CALCRL 2325/4885

“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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