SCHEMBL493455

SCHEMBL493455

O=C(COCC1CCCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)NCC1CCC(C(c2ccccc2)N2CCCC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 8/20 0.37
FAAH O00519 7/20 0.37
ACHE P22303 7/20 0.37
BCHE P06276 5/20 0.37
ACLY P53396 1/20 0.34
CACNA2D1 P54289 1/20 0.34
CACNA1B Q00975 1/20 0.34
CACNB1 Q02641 1/20 0.34
CACNA1C Q13936 1/20 0.34
CNR1 P21554 2/20 0.33

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
SCHEMBL493746 0.98 PTGIR (0.37) PTGIRFAAHACHEBCHECACNA2D1
SCHEMBL492921 0.95 THRB (0.35) PTGIRFAAHACHEBCHE
SCHEMBL493458 0.93 THRB (0.36) PTGIRFAAHACHEBCHECACNA2D1
SCHEMBL493532 0.89 SMN1; SMN2 (0.39) ACLYCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL493404 0.88 SMN1; SMN2 (0.38) ACLYCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL493595 0.87 FAAH (0.38) FAAHACHEBCHE
SCHEMBL493572 0.86 PTGIR (0.39) PTGIRFAAHACHE
SCHEMBL493261 0.86 PTGIR (0.38) PTGIRFAAHACHEBCHEACLY
SCHEMBL493623 0.86 PTGIR (0.40) PTGIRFAAHACHEBCHE
SCHEMBL493272 0.85 FAAH (0.38) PTGIRFAAHACHEBCHE

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 PTGIR 121/4885FAAH 6/4885ACHE 52/4885

“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.