SCHEMBL30788341

SCHEMBL30788341

C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 4/20 0.58
▸ OPRD1 P41143 6/20 0.55
▸ OPRM1 P35372 4/20 0.55
▸ C5AR1 P21730 2/20 0.54
▸ HCRTR1 O43613 1/20 0.52
▸ HCRTR2 O43614 1/20 0.52
▸ CXCR4 P61073 2/20 0.52
▸ F2 P00734 3/20 0.52

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
SCHEMBL30788353 0.97 CALCR (0.60) CALCROPRD1OPRM1C5AR1HCRTR1
SCHEMBL30233460 0.96 CALCR (0.59) CALCROPRD1OPRM1C5AR1HCRTR1
SCHEMBL30788360 0.95 F2 (0.55) CALCROPRD1OPRM1C5AR1HCRTR1
SCHEMBL30788348 0.94 F2 (0.54) CALCROPRD1OPRM1C5AR1HCRTR1
SCHEMBL30233411 0.94 CALCR (0.63) CALCROPRD1OPRM1C5AR1HCRTR1
SCHEMBL30753755 0.93 CALCR (0.62) CALCROPRD1OPRM1C5AR1HCRTR1
SCHEMBL30788340 0.93 F2 (0.59) CALCRHCRTR1HCRTR2CXCR4F2
SCHEMBL30788343 0.92 F2 (0.57) CALCRHCRTR1HCRTR2CXCR4F2
SCHEMBL30788336 0.92 F2 (0.57) CALCRHCRTR1HCRTR2CXCR4F2
SCHEMBL30233449 0.92 CALCR (0.58) CALCROPRD1OPRM1C5AR1F2

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-20240139089-A1 MULTISOME LIPID VESICLES FOR DELIVERY OF COSMETIC AGENTS GLO PHARMA, INC. 2024-05-02 — — US disclosed
US-20240076314-A1 PEPTIDE COMPOSITIONS AND METHODS FOR INHIBITING NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY GLO PHARMA, INC. 2024-03-07 — — 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-20240139089-A1 MULTISOME LIPID VESICLES FOR DELIVERY OF COSMETIC AGENTS LIPA, PLIN5, PLIN3 CALCR 3447/4885OPRD1 4804/4885OPRM1 4773/4885
US-20240076314-A1 PEPTIDE COMPOSITIONS AND METHODS FOR INHIBITING NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY CHRNB1, CHRNG, CHRNA1 CALCR 128/4885OPRD1 2819/4885OPRM1 2825/4885

“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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