SCHEMBL29579934

SCHEMBL29579934

CC(C)[C@H](NC(=O)C(=O)[C@@H](N)CO)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 5/20 0.57
▸ RAMP1 O60894 1/20 0.56
▸ CMA1 P23946 1/20 0.51
▸ OPRM1 P35372 3/20 0.49
▸ OPRD1 P41143 3/20 0.49
▸ SLC6A2 P23975 1/20 0.48
▸ OPRK1 P41145 1/20 0.46
▸ PSMB9 P28065 2/20 0.46
▸ REN P00797 1/20 0.45

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
SCHEMBL29579716 0.94 CALCRL (0.61) CALCRLRAMP1CMA1OPRM1OPRD1
SCHEMBL29579706 0.90 CALCRL (0.60) CALCRLRAMP1CMA1OPRM1OPRD1
SCHEMBL29579489 0.90 CALCRL (0.64) CALCRLRAMP1CMA1OPRM1OPRD1
SCHEMBL29579122 0.89 CALCRL (0.59) CALCRLRAMP1CMA1SLC6A2PSMB9
SCHEMBL29580071 0.88 CALCRL (0.61) CALCRLRAMP1CMA1OPRM1OPRD1
SCHEMBL29579417 0.88 CALCRL (0.62) CALCRLRAMP1CMA1SLC6A2
SCHEMBL29580098 0.88 SLC6A2 (0.64) CALCRLRAMP1OPRM1OPRD1SLC6A2
SCHEMBL29579500 0.87 CALCRL (0.59) CALCRLRAMP1CMA1OPRM1OPRD1
SCHEMBL29579416 0.87 CALCRL (0.54) CALCRLRAMP1CMA1OPRM1OPRD1
SCHEMBL30443993 0.86 PSMB9 (0.54) CALCRLRAMP1CMA1OPRM1OPRD1

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-12043674-B2 Synthetic cyclic peptides and methods of preparation and use thereof AUBURN UNIVERSITY (US) 2024-07-23 — — US disclosed
US-20220119445-A1 SYNTHETIC CYCLIC PEPTIDES AND METHODS OF PREPARATION AND USE THEREOF NATIONAL SCIENCE FOUNDATION 2022-04-21 — — 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-12043674-B2 Synthetic cyclic peptides and methods of preparation and use thereof VIP, PTMS, IAPP CALCRL 78/4885RAMP1 1411/4885CMA1 1879/4885
US-20220119445-A1 SYNTHETIC CYCLIC PEPTIDES AND METHODS OF PREPARATION AND USE THEREOF VIP, PTMS, IAPP CALCRL 78/4885RAMP1 1411/4885CMA1 1879/4885

“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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