SCHEMBL493746

SCHEMBL493746

O=C(COCC1CCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)NCC1CCC(C(c2ccccc2)N2CCCC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 8/20 0.37
FAAH O00519 5/20 0.37
ACHE P22303 5/20 0.37
BCHE P06276 4/20 0.37
RAB9A P51151 2/20 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
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
ITGB7 P26010 1/20 0.34

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
SCHEMBL493455 0.98 PTGIR (0.37) PTGIRFAAHACHEBCHECACNA2D1
SCHEMBL493458 0.94 THRB (0.36) PTGIRFAAHACHEBCHERAB9A
SCHEMBL492921 0.94 THRB (0.35) PTGIRFAAHACHEBCHERAB9A
SCHEMBL493404 0.89 SMN1; SMN2 (0.38) RAB9ACACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL493532 0.88 SMN1; SMN2 (0.39) RAB9ACACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL493261 0.87 PTGIR (0.38) PTGIRFAAHACHEBCHECACNA2D1
SCHEMBL493623 0.87 PTGIR (0.40) PTGIRFAAHACHEBCHERAB9A
SCHEMBL493272 0.87 FAAH (0.38) PTGIRFAAHACHEBCHEITGB1
SCHEMBL493288 0.86 RAB9A (0.41) PTGIRFAAHACHERAB9A
SCHEMBL493595 0.85 FAAH (0.38) FAAHACHEBCHE

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 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.