SCHEMBL13464211

SCHEMBL13464211

CC(=O)CC(=O)CCc1ccc(NC(=O)CCCCSC2CC(=O)N(CCC(=O)NC(CCCCNC(=O)CN=[N+]=[N-])C(=O)NCCOCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](N)CC=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC=O)C2=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 2/20 0.54
▸ OPRL1 P41146 7/20 0.41
▸ DRD2 P14416 7/20 0.40
▸ OPRM1 P35372 1/20 0.35
▸ TFPI P10646 2/20 0.34

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
SCHEMBL13446002 0.83 KEAP1 (0.46) OPRK1
SCHEMBL13464210 0.82 FOLH1 (0.38) OPRK1OPRM1
SCHEMBL18054016 0.80 KEAP1 (0.43) OPRK1DRD2
SCHEMBL13446007 0.71 KEAP1 (0.45) OPRK1DRD2
SCHEMBL13446016 0.70 KEAP1 (0.45) OPRK1DRD2
SCHEMBL18762749 0.68 CCKAR (0.43) OPRK1
SCHEMBL18762750 0.67 FOLH1 (0.50) —
SCHEMBL13892137 0.66 OPRK1 (0.51) OPRK1DRD2
SCHEMBL13445984 0.66 KEAP1 (0.51) —
SCHEMBL9920121 0.66 OPRK1 (0.50) OPRK1DRD2

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-8293206-B2 Achievement of a high therapeutic index through molecular imaging guided targeted drug treatment SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2012-10-23 — — US disclosed
US-20100074910-A1 Achievement of a high therapeutic index through molecular imaging guided targeted drug treatment SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-03-25 — — 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-20100074910-A1 Achievement of a high therapeutic index through molecular imaging guided targeted drug treatment MKI67, CD47, CD68 OPRK1 2532/4885OPRL1 1134/4885DRD2 3701/4885

“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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