SCHEMBL5657983

SCHEMBL5657983

O=C(NCc1ccc(NC2=NCCN2)cc1)c1ccc(OCC2CCOCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 4/20 0.48
ADRA2A P08913 5/20 0.47
ADRA2B P18089 4/20 0.47
ADRA2C P18825 4/20 0.47
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
HDAC1 Q13547 1/20 0.43
TSHR P16473 1/20 0.43
MLLT1 Q03111 1/20 0.42
GPR65 Q8IYL9 1/20 0.42
MCHR1 Q99705 1/20 0.42
ACACB O00763 1/20 0.42
F12 P00748 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41

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 0.93 PTGIR (0.52) PTGIRADRA2AADRA2BADRA2CPDE4A
SCHEMBL5654933 0.91 PTGIR (0.49) PTGIRADRA2AADRA2BADRA2CPDE4A
SCHEMBL5655751 0.88 PTGIR (0.49) PTGIRADRA2AADRA2BADRA2CPDE4A
SCHEMBL5657712 0.88 PTGIR (0.48) PTGIRADRA2AADRA2BADRA2CALDH1A1
SCHEMBL5658104 0.87 PTGIR (0.48) PTGIRADRA2AADRA2BADRA2CPDE4A
SCHEMBL5658590 0.86 NPC1 (0.52) PTGIRALDH1A1GAATSHR
SCHEMBL5656714 0.85 ADAM17 (0.51) PTGIRADRA2AADRA2BADRA2CALDH1A1
SCHEMBL5657965 0.85 HDAC1 (0.49) PTGIRADRA2AADRA2BADRA2CPDE4A
SCHEMBL5657774 0.85 HDAC1 (0.52) PTGIRADRA2AADRA2BADRA2CALDH1A1
SCHEMBL4686075 0.84 ADRA2A (0.62) 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.