SCHEMBL29579268

SCHEMBL29579268

C[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 5/20 0.48
▸ RAMP3 O60896 5/20 0.47
▸ CALCR P30988 5/20 0.47
▸ APLNR P35414 1/20 0.46
▸ OPRM1 P35372 6/20 0.45
▸ OPRK1 P41145 6/20 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
SCHEMBL31031580 0.89 CXCR4 (0.47) CXCR4RAMP3CALCRAPLNR
SCHEMBL31593304 0.87 APLNR (0.47) CXCR4APLNROPRM1OPRK1
SCHEMBL28356821 0.87 CXCR4 (0.47) CXCR4APLNROPRM1
SCHEMBL30275450 0.86 CXCR4 (0.46) CXCR4APLNR
SCHEMBL31655163 0.86 CXCR4 (0.47) CXCR4RAMP3CALCRAPLNR
SCHEMBL30065432 0.85 APLNR (0.49) CXCR4APLNROPRM1OPRK1
SCHEMBL29374733 0.85 CXCR4 (0.45) CXCR4APLNR
SCHEMBL29474445 0.85 RAMP3 (0.50) CXCR4RAMP3CALCR
SCHEMBL29496425 0.85 RAMP3 (0.49) RAMP3CALCR
SCHEMBL31462089 0.84 CXCR4 (0.46) CXCR4APLNR

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 CXCR4 242/4885RAMP3 1081/4885CALCR 150/4885
US-20220119445-A1 SYNTHETIC CYCLIC PEPTIDES AND METHODS OF PREPARATION AND USE THEREOF VIP, PTMS, IAPP CXCR4 242/4885RAMP3 1081/4885CALCR 150/4885

“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.

Send feedback