SCHEMBL31233779

SCHEMBL31233779

CC(C)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](NC(=O)[C@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 2/20 0.66
▸ CALCRL Q16602 5/20 0.60
▸ REN P00797 1/20 0.51
▸ OPRM1 P35372 1/20 0.51
▸ OPRD1 P41143 1/20 0.51
▸ NTSR2 O95665 3/20 0.50
▸ NTSR1 P30989 3/20 0.50
▸ SORT1 Q99523 2/20 0.50
▸ AGTR1 P30556 1/20 0.50
▸ AGTR2 P50052 1/20 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
SCHEMBL31684806 0.98 SLC6A2 (0.69) SLC6A2CALCRLRENOPRM1OPRD1
SCHEMBL31233755 0.94 SLC6A2 (0.64) SLC6A2CALCRLOPRM1OPRD1NTSR2
SCHEMBL31233911 0.93 SLC6A2 (0.63) SLC6A2CALCRLNTSR2NTSR1SORT1
SCHEMBL31233798 0.93 SLC6A2 (0.63) SLC6A2CALCRLNTSR2NTSR1SORT1
SCHEMBL29465927 0.91 SLC6A2 (0.62) SLC6A2CALCRLNTSR2NTSR1SORT1
SCHEMBL29531383 0.89 SLC6A2 (0.71) SLC6A2CALCRLOPRM1OPRD1
SCHEMBL31233948 0.88 SLC6A2 (0.61) SLC6A2CALCRLNTSR2NTSR1SORT1
SCHEMBL31233933 0.88 SLC6A2 (0.61) SLC6A2CALCRLNTSR2NTSR1SORT1
SCHEMBL29530922 0.87 SLC6A2 (0.64) SLC6A2CALCRLOPRM1OPRD1NTSR2
SCHEMBL29796613 0.87 NTSR1 (0.60) SLC6A2NTSR2NTSR1SORT1AGTR1

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-12171734-B2 Pathogenic bacteria SPOREGEN LIMITED (GB) 2024-12-24 — — 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-12171734-B2 Pathogenic bacteria CLPP, CLPX, ANTXR2 SLC6A2 3807/4885CALCRL 3111/4885REN 2576/4885

“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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