SCHEMBL492782

SCHEMBL492782

CN(C)C(c1ccccc1)C1CCC(CNC(=O)COCCN(C)S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 3/20 0.47
BDKRB1 P46663 1/20 0.43
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
GAA P10253 1/20 0.39
PTGIR P43119 2/20 0.38
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
SPPL2B Q8TCT7 1/20 0.37
SPPL2A Q8TCT8 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MMP12 P39900 1/20 0.36
KEAP1 Q14145 2/20 0.36
NFE2L2 Q16236 2/20 0.36
CCR5 P51681 1/20 0.36
MAPT P10636 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
SCHEMBL493086 0.93 BDKRB1 (0.42) CXCR3BDKRB1HTTPTGIRPSEN1
SCHEMBL492874 0.92 BDKRB1 (0.42) CXCR3BDKRB1LMNAPSEN1PSEN2
SCHEMBL493168 0.92 CXCR3 (0.41) CXCR3BDKRB1LMNAHTTGAA
SCHEMBL493883 0.91 CXCR3 (0.46) CXCR3LMNAHTTGAAPTGIR
SCHEMBL492544 0.90 PTGIR (0.41) CXCR3LMNAHTTPTGIRALDH1A1
SCHEMBL492656 0.89 L3MBTL1 (0.44) CXCR3BDKRB1LMNAHTTGAA
SCHEMBL492806 0.89 PTGIR (0.41) CXCR3LMNAHTTPTGIRALDH1A1
SCHEMBL492498 0.88 CXCR3 (0.42) CXCR3BDKRB1LMNAHTTGAA
SCHEMBL492721 0.88 CXCR3 (0.43) CXCR3LMNAHTTPTGIRALDH1A1
SCHEMBL493075 0.87 CXCR3 (0.51) CXCR3BDKRB1LMNAHTTGAA

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 1622/4885LMNA 2485/4885

“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.