SCHEMBL493291

SCHEMBL493291

COc1cc(C)c(S(=O)(=O)N(CCOCC(=O)NCC2CCC(C(c3ccc(Cl)cc3)N(C)C)CC2)Cc2ccccc2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 3/20 0.41
BDKRB1 P46663 12/20 0.39
FAAH O00519 2/20 0.37
ACHE P22303 2/20 0.37
BCHE P06276 1/20 0.37
LMNA P02545 2/20 0.36
TAS2R14 Q9NYV8 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PTGIR P43119 1/20 0.36

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
SCHEMBL493740 0.95 CXCR3 (0.43) CXCR3BDKRB1LMNAPTGIR
SCHEMBL493391 0.94 BDKRB1 (0.41) CXCR3BDKRB1LMNATAS2R14MAPT
SCHEMBL492615 0.93 CXCR3 (0.41) CXCR3BDKRB1LMNATAS2R14PTGIR
SCHEMBL493275 0.91 AVPR1A (0.40) CXCR3LMNATAS2R14MAPTHTT
SCHEMBL492554 0.89 CXCR3 (0.40) CXCR3BDKRB1LMNAPTGIR
SCHEMBL493255 0.89 BDKRB1 (0.49) BDKRB1
SCHEMBL492655 0.88 CXCR3 (0.51) CXCR3FAAHACHEBCHELMNA
SCHEMBL493132 0.87 BDKRB1 (0.41) CXCR3BDKRB1TAS2R14
SCHEMBL493922 0.86 AVPR1A (0.39) CXCR3LMNATAS2R14MAPTHTT
SCHEMBL493441 0.86 AVPR1A (0.40) CXCR3LMNAPTGIR

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 8 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
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 EP claimed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US claimed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO claimed
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 EP disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US disclosed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO 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 1622/4885FAAH 6/4885

“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.