SCHEMBL5002877

SCHEMBL5002877

CCOP(=O)(CN1CCNCCN2CCN(CC1)C(=O)C2=O)OCC

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
PDE5A O76074 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31

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
SCHEMBL13631717 0.88 TSHR (0.40) TSHRPDE5APDE4APDE4BPDE4C
SCHEMBL13631390 0.86 TSHR (0.39) TSHRPDE5A
SCHEMBL1418450 0.86 TSHR (0.41) TSHRPDE4APDE4BPDE4CPDE4D
SCHEMBL7505873 0.86 TSHR (0.41) TSHRPDE4APDE4BPDE4CPDE4D
SCHEMBL13992733 0.80 AOX1 (0.43) TSHR
SCHEMBL13992767 0.78 CXCR4 (0.46) TSHR
SCHEMBL22014309 0.78 TSHR (0.50) TSHR
SCHEMBL5002884 0.74 KDM4E (0.33)
SCHEMBL14113843 0.72 TSHR (0.40) TSHR
SCHEMBL13631583 0.71 TSHR (0.43) TSHR

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-20080312430-A1 Method of Preparing or Synthesizing Polyazamacrocycle Derivatives THERAPHARM GMBH (CH) 2008-12-18 US disclosed
EP-1812453-A1 METHOD OF PREPARING OR SYNTHESIZING POLYAZAMACROCYCLE DERIVATIVES Therapharm GmbH (CH) 2007-08-01 EP disclosed
WO-2006045546-A1 METHOD OF PREPARING OR SYNTHESIZING POLYAZAMACROCYCLE DERIVATIVES THERAPHARM GMBH (CH) 2006-05-04 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-20080312430-A1 Method of Preparing or Synthesizing Polyazamacrocycle Derivatives POLI, PARP1, DHPS TSHR 4034/4885PDE5A 2526/4885PDE4A 1844/4885

“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.