SCHEMBL5658104

SCHEMBL5658104

CCN1CCC(COc2ccc(C(=O)NCc3ccc(NC4=NCCN4)cc3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 4/20 0.48
HDAC1 Q13547 1/20 0.46
ADRA2A P08913 3/20 0.44
ADRA2B P18089 2/20 0.44
ADRA2C P18825 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 2/20 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
NAMPT P43490 1/20 0.43
MLLT1 Q03111 1/20 0.43
GPR65 Q8IYL9 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
PRKAA2 P54646 1/20 0.42
SLC6A5 Q9Y345 1/20 0.41
GCGR P47871 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
SCHEMBL5655751 0.91 PTGIR (0.49) PTGIRHDAC1ADRA2AADRA2BADRA2C
SCHEMBL5659545 0.91 PTGIR (0.52) PTGIRHDAC1ADRA2AADRA2BADRA2C
SCHEMBL5657965 0.90 HDAC1 (0.49) PTGIRHDAC1ADRA2AADRA2BADRA2C
SCHEMBL5657551 0.90 PTGIR (0.48) PTGIRADRA2AADRA2BADRA2CMEN1
SCHEMBL5657774 0.89 HDAC1 (0.52) PTGIRHDAC1ADRA2AADRA2BADRA2C
SCHEMBL5654933 0.88 PTGIR (0.49) PTGIRHDAC1ADRA2AADRA2BADRA2C
SCHEMBL5656714 0.88 ADAM17 (0.51) PTGIRHDAC1ADRA2AADRA2BADRA2C
SCHEMBL5657983 0.87 PTGIR (0.48) PTGIRHDAC1ADRA2AADRA2BADRA2C
SCHEMBL5656401 0.85 PTGIR (0.61) PTGIRADRA2AADRA2BADRA2CMEN1
SCHEMBL5657784 0.84 LMNA (0.55) PTGIRADRA2AADRA2BADRA2CMEN1

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 44/4885HDAC1 592/4885ADRA2A 90/4885

“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.