SCHEMBL5057725

SCHEMBL5057725

C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 2/20 0.45
▸ OPRM1 P35372 5/20 0.44
▸ OPRK1 P41145 5/20 0.44
▸ NPY2R P49146 6/20 0.44
▸ NPY4R P50391 6/20 0.44
▸ NPY5R Q15761 6/20 0.44
▸ NPY1R P25929 4/20 0.44
▸ MAPK8 P45983 1/20 0.44
▸ MAPK9 P45984 1/20 0.44
▸ MAPK10 P53779 1/20 0.44
▸ IL23R Q5VWK5 1/20 0.43

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
SCHEMBL29616793 0.86 RAMP3 (0.49) CXCR4OPRM1OPRK1
SCHEMBL30900793 0.85 CALCRL (0.47) CXCR4NPY2RNPY4RNPY5RNPY1R
SCHEMBL29906304 0.84 OPRM1 (0.47) CXCR4OPRM1OPRK1
SCHEMBL11168683 0.84 RAMP3 (0.48) OPRM1OPRK1NPY2RNPY4RNPY5R
SCHEMBL9764520 0.84 RAMP3 (0.48) OPRM1OPRK1NPY2RNPY4RNPY5R
SCHEMBL9764553 0.84 RAMP3 (0.48) OPRM1OPRK1NPY2RNPY4RNPY5R
SCHEMBL11170810 0.84 RAMP3 (0.48) OPRM1OPRK1NPY2RNPY4RNPY5R
SCHEMBL11170849 0.84 RAMP3 (0.48) OPRM1OPRK1NPY2RNPY4RNPY5R
SCHEMBL11168724 0.84 RAMP3 (0.48) OPRM1OPRK1NPY2RNPY4RNPY5R
SCHEMBL9763775 0.84 RAMP3 (0.48) OPRM1OPRK1NPY2RNPY4RNPY5R

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-20080292615-A1 DIAGNOSIS AND TREATMENT OF DISEASE MOLECULAR SKINCARE LIMITED (GB) 2008-11-27 — — 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-20080292615-A1 DIAGNOSIS AND TREATMENT OF DISEASE SERPINB1, EPCAM, DNASE1L3 CXCR4 4050/4885OPRM1 3994/4885OPRK1 3458/4885

“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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