SCHEMBL5654933

SCHEMBL5654933

O=C(NCc1ccc(NC2=NCCN2)cc1)c1ccc(OCC2CCNCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 4/20 0.49
ADRA2A P08913 5/20 0.48
ADRA2B P18089 4/20 0.48
ADRA2C P18825 4/20 0.48
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
HDAC1 Q13547 1/20 0.44
GPR65 Q8IYL9 1/20 0.44
MLLT1 Q03111 1/20 0.44
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
NAMPT P43490 1/20 0.42
F12 P00748 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
LMNA P02545 1/20 0.42
WDR5 P61964 1/20 0.42

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
SCHEMBL5659545 0.95 PTGIR (0.52) PTGIRADRA2AADRA2BADRA2CPDE4A
SCHEMBL5657983 0.91 PTGIR (0.48) PTGIRADRA2AADRA2BADRA2CPDE4A
SCHEMBL5655751 0.90 PTGIR (0.49) PTGIRADRA2AADRA2BADRA2CPDE4A
SCHEMBL5658104 0.88 PTGIR (0.48) PTGIRADRA2AADRA2BADRA2CPDE4A
SCHEMBL5660483 0.88 PTGIR (0.50) PTGIRADRA2AADRA2BADRA2CGPR65
SCHEMBL5656714 0.87 ADAM17 (0.51) PTGIRADRA2AADRA2BADRA2CPDE4A
SCHEMBL5657965 0.87 HDAC1 (0.49) PTGIRADRA2AADRA2BADRA2CPDE4A
SCHEMBL5657774 0.86 HDAC1 (0.52) PTGIRADRA2AADRA2BADRA2CPDE4A
SCHEMBL5656401 0.85 PTGIR (0.61) PTGIRADRA2AADRA2BADRA2CGPR65
SCHEMBL5655762 0.84 ADRA2A (0.56) PTGIRADRA2AADRA2BADRA2CGPR65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7279498-B2 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC (US) 2007-10-09 US disclosed
US-7279498-B2 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC (US) 2007-10-09 US disclosed
US-7279498-B2 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC (US) 2007-10-09 US disclosed
US-6998414-B2 Substituted arylamides as IP antagonists ROCHE PALO ALTO LLC (US) 2006-02-14 US disclosed
US-20060004075-A1 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC 2006-01-05 US 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-20060004075-A1 Substituted aryl amides as IP antagonists INSR, INSRR, GIPR PTGIR 44/4885ADRA2A 90/4885ADRA2B 82/4885

“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.