SCHEMBL493740

SCHEMBL493740

COc1cc(C)c(S(=O)(=O)N(CCOCC(=O)NCC2CCC(C(c3ccccc3)N(C)C)CC2)Cc2ccccc2)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 3/20 0.43
BDKRB1 P46663 14/20 0.41
PTGIR P43119 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL492615 0.95 CXCR3 (0.41) CXCR3BDKRB1PTGIRALDH1A1LMNA
SCHEMBL493291 0.95 CXCR3 (0.41) CXCR3BDKRB1PTGIRLMNA
SCHEMBL492554 0.94 CXCR3 (0.40) CXCR3BDKRB1PTGIRALDH1A1LMNA
SCHEMBL493441 0.91 AVPR1A (0.40) CXCR3PTGIRALDH1A1LMNASMN1; SMN2
SCHEMBL492295 0.90 BDKRB1 (0.51) BDKRB1
SCHEMBL493107 0.90 BDKRB1 (0.42) BDKRB1
SCHEMBL493132 0.89 BDKRB1 (0.41) CXCR3BDKRB1
SCHEMBL493391 0.89 BDKRB1 (0.41) CXCR3BDKRB1PTGIRLMNA
SCHEMBL493271 0.89 CXCR3 (0.44) CXCR3BDKRB1PTGIR
SCHEMBL492523 0.88 BDKRB1 (0.40) CXCR3BDKRB1

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 7 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
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 1622/4885PTGIR 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.