SCHEMBL493271

SCHEMBL493271

COc1cc(C)c(S(=O)(=O)N(CCOCC(=O)NCC2CCC(C(CCc3ccccc3)N(C)C)CC2)Cc2ccccc2)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 3/20 0.44
BDKRB1 P46663 13/20 0.40
PTGIR P43119 1/20 0.37
TAS2R14 Q9NYV8 1/20 0.37
BMP1 P13497 1/20 0.37

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
SCHEMBL494402 0.92 BDKRB1 (0.48) BDKRB1
SCHEMBL493826 0.91 CXCR3 (0.39) CXCR3
SCHEMBL493740 0.89 CXCR3 (0.43) CXCR3BDKRB1PTGIR
SCHEMBL493019 0.88 CXCR3 (0.46) CXCR3TAS2R14BMP1
SCHEMBL493586 0.85 AVPR1B (0.38) CXCR3
SCHEMBL492615 0.85 CXCR3 (0.41) CXCR3BDKRB1PTGIRTAS2R14
SCHEMBL493291 0.85 CXCR3 (0.41) CXCR3BDKRB1PTGIRTAS2R14
SCHEMBL492554 0.84 CXCR3 (0.40) CXCR3BDKRB1PTGIR
SCHEMBL492872 0.83 AVPR1B (0.40) BDKRB1
SCHEMBL493549 0.82 CXCR3 (0.49) CXCR3PTGIRTAS2R14BMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US claimed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US claimed
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 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-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD CXCR3 4458/4885BDKRB1 1622/4885PTGIR 121/4885

“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.