SCHEMBL31126252

SCHEMBL31126252

C[C@@H](O)[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 4/20 0.45
▸ CTSL P07711 3/20 0.44
▸ CTSS P25774 3/20 0.44
▸ CTSK P43235 3/20 0.44
▸ CTSH P09668 1/20 0.44
▸ ITGB3 P05106 1/20 0.42
▸ ITGAV P06756 1/20 0.42
▸ CALCR P30988 8/20 0.42
▸ RAMP3 O60896 6/20 0.42
▸ OPRM1 P35372 1/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ C5AR1 P21730 1/20 0.41

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
SCHEMBL31124516 0.84 F2 (0.46) F2OPRM1OPRD1
SCHEMBL31124515 0.84 F2 (0.46) F2OPRM1OPRD1
SCHEMBL29898879 0.84 C5AR1 (0.53) F2CALCRRAMP3C5AR1
SCHEMBL29684071 0.83 OPRD1 (0.38) OPRM1OPRD1
SCHEMBL29641693 0.82 SLC6A2 (0.48) F2CALCRRAMP3C5AR1
SCHEMBL29384601 0.81 SLC6A2 (0.52) F2CALCRRAMP3
SCHEMBL30254127 0.81 CALCRL (0.47) ITGB3ITGAVOPRM1OPRD1C5AR1
SCHEMBL29641566 0.81 OPRM1 (0.43) F2OPRM1OPRD1
SCHEMBL15685981 0.81 CTSL (0.48) CTSLCTSSCTSKCTSHCALCR
SCHEMBL30253903 0.81 SLC6A2 (0.51) OPRM1OPRD1

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-20240254186-A1 GLP-1 Receptor Agonists Having Improved Pharmacological and Drug Delivery Properties DARBIX LLC 2024-08-01 — — 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-20240254186-A1 GLP-1 Receptor Agonists Having Improved Pharmacological and Drug Delivery Properties GLP1R, GIPR, IAPP F2 4191/4885CTSL 2221/4885CTSS 3317/4885

“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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