SCHEMBL5656714

SCHEMBL5656714

CS(=O)(=O)N1CCC(COc2ccc(C(=O)NCc3ccc(NC4=NCCN4)cc3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.51
PTGIR P43119 4/20 0.46
HDAC1 Q13547 1/20 0.45
ALDH1A1 P00352 1/20 0.44
NAMPT P43490 2/20 0.43
F2 P00734 1/20 0.43
C1R P00736 1/20 0.43
F10 P00742 1/20 0.43
KLKB1 P03952 1/20 0.43
KLK1 P06870 1/20 0.43
PRSS1 P07477 1/20 0.43
ADRA2A P08913 2/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 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
SCHEMBL5655751 0.90 PTGIR (0.49) PTGIRHDAC1ADRA2AADRA2BADRA2C
SCHEMBL5659545 0.90 PTGIR (0.52) PTGIRHDAC1PRSS1ADRA2AADRA2B
SCHEMBL5658104 0.88 PTGIR (0.48) PTGIRHDAC1NAMPTADRA2AADRA2B
SCHEMBL5654933 0.87 PTGIR (0.49) PTGIRHDAC1NAMPTPRSS1ADRA2A
SCHEMBL5657965 0.87 HDAC1 (0.49) PTGIRHDAC1NAMPTADRA2AADRA2B
SCHEMBL5657774 0.86 HDAC1 (0.52) PTGIRHDAC1ALDH1A1ADRA2AADRA2B
SCHEMBL5657983 0.85 PTGIR (0.48) PTGIRHDAC1ALDH1A1PRSS1ADRA2A
SCHEMBL5657361 0.84 ADRA2A (0.55) PTGIRHDAC1ADRA2AADRA2BADRA2C
SCHEMBL5656401 0.82 PTGIR (0.61) PTGIRNAMPTADRA2AADRA2BADRA2C
SCHEMBL5656620 0.81 LMNA (0.61) ALDH1A1NAMPT

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 ADAM17 4810/4885PTGIR 44/4885HDAC1 592/4885

“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.