SCHEMBL5002884

SCHEMBL5002884

CCC(C)OP(=O)(O)CN1CCNCCN2CCN(CC1)C(=O)C2=O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
CHRM5 P08912 1/20 0.31
CHRM3 P20309 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
SCHEMBL7420965 0.88 KDM4E (0.38) KDM4EALDH1A1POLBCHRM5CHRM3
SCHEMBL5002877 0.74 TSHR (0.32)
SCHEMBL5002525 0.72 KDM4E (0.39) KDM4EALDH1A1POLB
SCHEMBL13992732 0.67 PPARD (0.40) CHRM5CHRM3
SCHEMBL13992733 0.67 AOX1 (0.43) ALDH1A1
SCHEMBL7419651 0.64 ANPEP (0.38)
SCHEMBL11128058 0.63 ALDH1A1 (0.40) ALDH1A1
SCHEMBL336114 0.63 MAPT (0.49) KDM4EALDH1A1POLBCHRM5CHRM3
SCHEMBL472195 0.63 MAPT (0.49) KDM4EALDH1A1POLBCHRM5CHRM3
SCHEMBL1678646 0.63 ADRB1 (0.43) KDM4EALDH1A1CHRM3

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 KDM4E 2936/4885ALDH1A1 2631/4885POLB 43/4885

“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.