SCHEMBL493075

SCHEMBL493075

CN(C)C(CCc1ccccc1)C1CCC(CNC(=O)COCCN(C)S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 3/20 0.51
BDKRB1 P46663 1/20 0.42
SCN9A Q15858 3/20 0.42
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
GAA P10253 1/20 0.37
MEP1B Q16820 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
CNR2 P34972 1/20 0.36
FAAH O00519 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
KDM4E B2RXH2 1/20 0.35
CHRM4 P08173 2/20 0.35
PTGER1 P34995 1/20 0.35

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
SCHEMBL493549 0.91 CXCR3 (0.49) CXCR3ALDH1A1LMNAHTTMMP2
SCHEMBL492804 0.90 HTT (0.41) CXCR3ALDH1A1LMNAHTTGAA
SCHEMBL493602 0.90 MAPT (0.43) CXCR3ALDH1A1LMNAHTTCNR2
SCHEMBL492852 0.89 CXCR3 (0.46) CXCR3ALDH1A1LMNAHTTGAA
SCHEMBL492782 0.87 CXCR3 (0.47) CXCR3BDKRB1ALDH1A1LMNAHTT
SCHEMBL493643 0.86 NPSR1 (0.42) CXCR3ALDH1A1LMNAHTTGAA
SCHEMBL493295 0.85 PDE4D (0.42) CXCR3ALDH1A1GAA
SCHEMBL493019 0.83 CXCR3 (0.46) CXCR3LMNACNR2
SCHEMBL493317 0.83 BDKRB1 (0.40) CXCR3BDKRB1ALDH1A1LMNAHTT
SCHEMBL494402 0.82 BDKRB1 (0.48) BDKRB1

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 1622/4885SCN9A 173/4885

“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.