SCHEMBL29665939

SCHEMBL29665939

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

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.55
▸ CALCRL Q16602 4/20 0.53
▸ NTSR2 O95665 6/20 0.51
▸ NTSR1 P30989 6/20 0.51
▸ SORT1 Q99523 5/20 0.51
▸ ACE P12821 1/20 0.46
▸ AGTR1 P30556 1/20 0.46
▸ AGTR2 P50052 1/20 0.46

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
SCHEMBL29666030 0.94 SLC6A2 (0.53) SLC6A2CALCRLNTSR2NTSR1SORT1
SCHEMBL29465927 0.91 SLC6A2 (0.62) SLC6A2CALCRLNTSR2NTSR1SORT1
SCHEMBL30784958 0.89 NTSR2 (0.59) SLC6A2CALCRLNTSR2NTSR1SORT1
SCHEMBL29796613 0.88 NTSR1 (0.60) SLC6A2NTSR2NTSR1SORT1AGTR1
SCHEMBL29517484 0.88 NTSR1 (0.60) SLC6A2NTSR2NTSR1SORT1AGTR1
SCHEMBL29796500 0.88 NTSR1 (0.60) SLC6A2NTSR2NTSR1SORT1AGTR1
SCHEMBL31275903 0.85 SLC6A2 (0.57) SLC6A2CALCRLNTSR2NTSR1SORT1
SCHEMBL30784911 0.84 BACE1 (0.55) —
SCHEMBL31064877 0.84 OPRK1 (0.53) SLC6A2NTSR2NTSR1SORT1ACE
SCHEMBL31086923 0.83 NTSR1 (0.60) SLC6A2NTSR2NTSR1SORT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250295748-A1 TREATMENT AND PREVENTION OF VIRAL INFECTIONS SPOREGEN LIMITED (GB) 2025-09-25 — — US disclosed
US-20220280579-A1 Formulations for Prevention or Reduction of C. Difficile Infections SPOREGEN LIMITED (GB) 2022-09-08 — — US disclosed
EP-4017265-A1 FORMULATIONS FOR PREVENTION OR REDUCTION OF C. DIFFICILE INFECTIONS SporeGen Limited (GB) 2022-06-29 — — EP 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 4013/4885CALCRL 1515/4885NTSR2 1627/4885
US-20250295748-A1 TREATMENT AND PREVENTION OF VIRAL INFECTIONS TLR3, TLR5, IRF3 SLC6A2 1911/4885CALCRL 2400/4885NTSR2 818/4885

“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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