SCHEMBL29796758

SCHEMBL29796758

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

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.64
NMUR2 Q9GZQ4 2/20 0.54
NMUR1 Q9HB89 1/20 0.54
NTSR1 P30989 3/20 0.54
NTSR2 O95665 2/20 0.54
CALCRL Q16602 1/20 0.52
SORT1 Q99523 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
SCHEMBL29796577 0.93 SLC6A2 (0.60) SLC6A2NMUR2NMUR1NTSR1NTSR2
SCHEMBL29836567 0.93 SLC6A2 (0.60) SLC6A2NMUR2NMUR1NTSR1NTSR2
SCHEMBL31490020 0.90 OPRM1 (0.59) SLC6A2NMUR2NMUR1NTSR1NTSR2
SCHEMBL29465926 0.90 OPRM1 (0.59) SLC6A2NMUR2NMUR1NTSR1NTSR2
SCHEMBL29796546 0.89 OPRM1 (0.56) SLC6A2NMUR2NMUR1NTSR1NTSR2
SCHEMBL31366734 0.89 SLC6A2 (0.55) SLC6A2NMUR2NMUR1NTSR1NTSR2
SCHEMBL31020744 0.89 SLC6A2 (0.63) SLC6A2NMUR2NMUR1NTSR1NTSR2
SCHEMBL29705074 0.89 SLC6A2 (0.59) SLC6A2NTSR1NTSR2CALCRLSORT1
SCHEMBL29966859 0.87 SLC6A2 (0.56) SLC6A2NMUR2NTSR1NTSR2CALCRL
SCHEMBL29966124 0.87 SLC6A2 (0.56) SLC6A2NMUR2NTSR1NTSR2CALCRL

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12171734-B2 Pathogenic bacteria SPOREGEN LIMITED (GB) 2024-12-24 US disclosed
US-20220280579-A1 Formulations for Prevention or Reduction of C. Difficile Infections SPOREGEN LIMITED (GB) 2022-09-08 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 (2 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-20220280579-A1 Formulations for Prevention or Reduction of C. Difficile Infections SI, FABP2, CRY1 SLC6A2 4013/4885NMUR2 2717/4885NMUR1 1939/4885
US-12171734-B2 Pathogenic bacteria CLPP, CLPX, ANTXR2 SLC6A2 3807/4885NMUR2 4300/4885NMUR1 3878/4885

“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.