SCHEMBL494439

SCHEMBL494439

CN(C)C(CCc1ccccc1)C1CCC(CNC(=O)COCC2CCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
HTR1E P28566 1/20 0.39
ADRA1B P35368 1/20 0.39
DRD3 P35462 1/20 0.39
CCR4 P51679 3/20 0.39
MMP9 P14780 1/20 0.38
FAAH O00519 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
FKBP1A P62942 1/20 0.37
RECQL P46063 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
CASP3 P42574 1/20 0.37
CASP2 P42575 1/20 0.37
CASP7 P55210 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
SCHEMBL493786 0.98 FKBP1A (0.40) HTR7HTR1ADRD2HTR1DHTR1B
SCHEMBL493078 0.90 FAAH (0.44) MMP9FAAHACHE
SCHEMBL492903 0.89 POLB (0.43) FKBP1A
SCHEMBL492825 0.88 HTR7 (0.41) HTR7HTR1ADRD2HTR1DHTR1B
SCHEMBL493436 0.88 RAB9A (0.45) MMP9FAAHACHEFKBP1A
SCHEMBL492667 0.86 PTGIR (0.39) HTR7HTR1ADRD2HTR1DHTR1B
SCHEMBL492998 0.82 HTR7 (0.40) HTR7HTR1ADRD2HTR1DHTR1B
SCHEMBL492743 0.82 HTR7 (0.38) HTR7HTR1ADRD2HTR1DHTR1B
SCHEMBL493665 0.82 RAB9A (0.47) FAAHACHEFKBP1A
SCHEMBL493269 0.82 POLB (0.40) FAAHBCHEACHE

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 6 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
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 HTR7 1873/4885HTR1A 1725/4885DRD2 3432/4885

“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.