SCHEMBL25845490

SCHEMBL25845490

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(C)=O)C(C)O)C(C)C)C(C)=O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.55
▸ NTSR2 O95665 7/20 0.54
▸ NTSR1 P30989 7/20 0.54
▸ NPY1R P25929 2/20 0.53
▸ SORT1 Q99523 6/20 0.52
▸ NPY2R P49146 1/20 0.52
▸ NPY4R P50391 1/20 0.52
▸ NPY5R Q15761 1/20 0.52
▸ CALCRL Q16602 1/20 0.51
▸ AGTR2 P50052 3/20 0.51
▸ AGTR1 P30556 2/20 0.51
▸ KISS1R Q969F8 2/20 0.51
▸ OXTR P30559 1/20 0.51
▸ F2 P00734 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
SCHEMBL25845492 0.92 NTSR1 (0.54) SLC6A2NTSR2NTSR1NPY1RNPY2R
SCHEMBL14930602 0.90 AGTR2 (0.55) SLC6A2NTSR2NTSR1NPY1RSORT1
SCHEMBL25845887 0.89 OPRD1 (0.56) SLC6A2NTSR2NTSR1CALCRLF2
SCHEMBL25846293 0.88 NTSR1 (0.54) SLC6A2NTSR2NTSR1NPY2RNPY4R
SCHEMBL25845603 0.88 NTSR1 (0.54) SLC6A2NTSR2NTSR1NPY2RNPY4R
SCHEMBL29552077 0.88 AGTR2 (0.61) SLC6A2NTSR2NTSR1NPY1RSORT1
SCHEMBL31233798 0.86 SLC6A2 (0.63) SLC6A2NTSR2NTSR1SORT1CALCRL
SCHEMBL31233911 0.86 SLC6A2 (0.63) SLC6A2NTSR2NTSR1SORT1CALCRL
SCHEMBL8441486 0.86 KDM1A (0.54) NTSR2NTSR1NPY1RNPY2RNPY4R
SCHEMBL29541332 0.85 NTSR1 (0.63) NTSR2NTSR1NPY1RSORT1F2

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 SLC6A2 2289/4885NTSR2 455/4885NTSR1 265/4885

“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.

Send feedback