SCHEMBL12237344

SCHEMBL12237344

CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 1/20 0.55
▸ OPRD1 P41143 6/20 0.51
▸ OPRM1 P35372 8/20 0.49
▸ OPRK1 P41145 8/20 0.49

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
SCHEMBL12259929 0.96 APLNR (0.54) APLNROPRD1OPRM1OPRK1
SCHEMBL29904128 0.95 APLNR (0.51) APLNROPRD1OPRM1OPRK1
SCHEMBL30039271 0.87 OPRM1 (0.55) APLNROPRM1OPRK1
SCHEMBL30019693 0.87 OPRD1 (0.48) APLNROPRD1
SCHEMBL29421978 0.85 APLNR (0.51) APLNROPRD1OPRM1OPRK1
SCHEMBL30602837 0.85 NTSR1 (0.55) OPRD1OPRM1
SCHEMBL29904044 0.85 OPRM1 (0.55) APLNROPRM1OPRK1
SCHEMBL38655507 0.85 OPRM1 (0.55) APLNROPRM1OPRK1
SCHEMBL30522715 0.85 CXCR4 (0.50) APLNROPRD1OPRM1OPRK1
SCHEMBL22380749 0.85 APLNR (0.52) APLNROPRD1OPRM1OPRK1

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-9096830-B2 Multi-layered hydrogel constructs and associated methods BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-08-04 — — US disclosed
US-20110262493-A1 MULTI-LAYERED HYDROGEL CONSTRUCTS AND ASSOCIATED METHODS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2011-10-27 — — 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-20110262493-A1 MULTI-LAYERED HYDROGEL CONSTRUCTS AND ASSOCIATED METHODS CD44, MMP13, MMP3 APLNR 2026/4885OPRD1 4693/4885OPRM1 4823/4885

“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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