SCHEMBL6187733

SCHEMBL6187733

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

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.65
EPHX2 P34913 1/20 0.50
CASP3 P42574 2/20 0.45
FABP5 Q01469 3/20 0.44
FABP7 O15540 2/20 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
SCHEMBL18811279 0.92 KMT2A (0.70) KMT2AEPHX2CASP3FABP5
SCHEMBL20759696 0.90 KMT2A (0.78) KMT2AEPHX2CASP3
SCHEMBL17089903 0.90 KMT2A (0.62) KMT2AEPHX2CASP3FABP5FABP7
SCHEMBL5058821 0.89 KMT2A (0.69) KMT2AEPHX2CASP3FABP5
SCHEMBL12620066 0.89 KMT2A (0.65) KMT2AEPHX2CASP3FABP5FABP7
SCHEMBL26032361 0.88 KMT2A (0.58) KMT2AEPHX2CASP3FABP5
SCHEMBL12665707 0.88 KMT2A (0.67) KMT2AEPHX2CASP3FABP5FABP7
SCHEMBL26172640 0.87 KMT2A (0.60) KMT2AEPHX2CASP3FABP5FABP7
SCHEMBL12391727 0.86 KMT2A (0.57) KMT2AEPHX2CASP3FABP5FABP7
SCHEMBL29397906 0.86 KMT2A (0.81) KMT2AEPHX2CASP3FABP5FABP7

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 9 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
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
US-8895231-B2 Patterning process and resist composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-11-25 US disclosed
US-20120058428-A1 PATTERNING PROCESS AND RESIST COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-03-08 US disclosed
US-20110263540-A1 SMALL-MOLECULE INHIBITORS OF PROTEIN SYNTHESIS INACTIVATING TOXINS MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2011-10-27 US disclosed
EP-1572669-A2 2,5-DIKETOPIPERAZINES FOR THE TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2005-09-14 EP disclosed
WO-2004048345-A2 2,5-DIKETOPIPERAZINES FOR THE TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2004-06-10 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 (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-20110263540-A1 SMALL-MOLECULE INHIBITORS OF PROTEIN SYNTHESIS INACTIVATING TOXINS MRPS27, MRPS22, MRPS23 KMT2A 2997/4885EPHX2 4095/4885CASP3 4013/4885
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 578/4885CASP3 4234/4885

“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.