SCHEMBL29904323

SCHEMBL29904323

NNC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.64
EPHX2 P34913 1/20 0.49
FABP7 O15540 2/20 0.42
FABP5 Q01469 2/20 0.42
CASP3 P42574 2/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL27410574 1.00 KMT2A (0.64) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL5550978 0.90 KMT2A (0.76) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL14008332 0.87 KMT2A (0.64) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL18510206 0.86 KMT2A (0.61) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL7113140 0.86 KMT2A (0.67) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL13525077 0.86 KMT2A (0.73) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL3140809 0.86 KMT2A (0.73) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL29423575 0.85 KMT2A (0.81) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL178687 0.85 KMT2A (0.81) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL29397906 0.85 KMT2A (0.81) KMT2AEPHX2FABP7FABP5CASP3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208984-A1 BIVALENT LIGANDS TO UNDERSTAND DIMERIZATION OF THE MU OPIOID RECEPTOR AND THE CHEMOKINE RECEPTOR CCR5 IN NEUROLOGICAL DISORDERS VIRGINIA COMMONWEALTH UNIVERSITY 2024-06-27 US disclosed
EP-4313051-A1 BIVALENT LIGANDS TO UNDERSTAND DIMERIZATION OF THE MU OPIOID RECEPTOR AND THE CHEMOKINE RECEPTOR CCR5 IN NEUROLOGICAL DISORDERS Virginia Commonwealth University (US) 2024-02-07 EP disclosed
WO-2022212471-A1 BIVALENT LIGANDS TO UNDERSTAND DIMERIZATION OF THE MU OPIOID RECEPTOR AND THE CHEMOKINE RECEPTOR CCR5 IN NEUROLOGICAL DISORDERS VIRGINIA COMMONWEALTH UNIVERSITY (US) 2022-10-06 WO 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-20240208984-A1 BIVALENT LIGANDS TO UNDERSTAND DIMERIZATION OF THE MU OPIOID RECEPTOR AND THE CHEMOKINE RECEPTOR CCR5 IN NEUROLOGICAL DISORDERS OPRM1, OPRK1, CCR5 KMT2A 3025/4885EPHX2 578/4885FABP7 372/4885

“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.