SCHEMBL6444675

SCHEMBL6444675

S=CCN1CCOC(c2ccc(Oc3ccc(Cl)cc3)cc2)C1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.56
DRD3 P35462 4/20 0.41
DRD4 P21917 3/20 0.39
RXRB P28702 1/20 0.38
GRIN2B Q13224 1/20 0.37
LTA4H P09960 1/20 0.37
PTGS2 P35354 1/20 0.37

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
SCHEMBL5028962 0.92 DRD3 (0.46) CNR2DRD3
SCHEMBL6243987 0.88 CNR2 (0.53) CNR2DRD3LTA4H
SCHEMBL5028956 0.83 CNR2 (0.47) CNR2DRD3DRD4
SCHEMBL2295815 0.80 DRD3 (0.61) CNR2DRD3DRD4
SCHEMBL2294841 0.80 DRD3 (0.61) CNR2DRD3DRD4
SCHEMBL2297490 0.76 DRD3 (0.58) CNR2DRD3
SCHEMBL2293451 0.76 DRD3 (0.58) CNR2DRD3
SCHEMBL5030220 0.75 DRD3 (0.43) CNR2DRD3DRD4
SCHEMBL6444671 0.75 CNR2 (0.44) CNR2DRD3RXRB
SCHEMBL2298390 0.75 DRD4 (0.67) CNR2DRD3DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1226128-B1 NEW PYRIMIDINE-2,4,6-TRIONE DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THESE COMPOUNDS HOFFMANN LA ROCHE (CH) 2005-02-23 EP disclosed
US-6716845-B2 Barbituric acid derivatives HOFFMANN-LA ROCHE INC. 2004-04-06 US disclosed
EP-1383746-A2 NEW PYRIMIDINE-2,4,6-TRIONE DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THESE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2004-01-28 EP disclosed
US-6498252-B1 Pyrimidine-2,4,6-trione derivatives, processes for their production and pharmaceutical agents containing these compounds HOFFMANN-LA ROCHE INC. 2002-12-24 US disclosed
US-20020187991-A1 Barbituric acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 2002-12-12 US disclosed
WO-2002079170-A2 PYRIMIDINE-2,4,6-TRIONE DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THEM F. HOFFMANN-LA ROCHE AG (CH) 2002-10-10 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 (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-20020187991-A1 Barbituric acid derivatives GABBR1, GABBR2, TUBB6 CNR2 2063/4885DRD3 1271/4885DRD4 2024/4885

“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.