SCHEMBL493458

SCHEMBL493458

O=C(COCC1CCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)NCC1CCC(C(c2ccccc2)N2CCOCC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.36
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.35
PTGIR P43119 5/20 0.35
FAAH O00519 2/20 0.35
BCHE P06276 2/20 0.35
ACHE P22303 2/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
NAPEPLD Q6IQ20 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
ITGB7 P26010 1/20 0.33
RAB9A P51151 2/20 0.33
GALR3 O60755 1/20 0.33
CACNA2D1 P54289 1/20 0.33
CACNA1B Q00975 1/20 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
SCHEMBL492921 0.98 THRB (0.35) THRBPKMKMT2APTGIRFAAH
SCHEMBL493746 0.94 PTGIR (0.37) PTGIRFAAHBCHEACHEITGB1
SCHEMBL493455 0.93 PTGIR (0.37) PTGIRFAAHBCHEACHECACNA2D1
SCHEMBL493417 0.90 MEN1 (0.38) THRBKMT2ASMN1; SMN2POLBRAB9A
SCHEMBL492635 0.88 POLB (0.37) THRBPKMKMT2APTGIRFAAH
SCHEMBL492865 0.88 CYP3A4 (0.38) KMT2ALMNASMN1; SMN2POLBRAB9A
SCHEMBL493411 0.88 FAAH (0.36) PKMKMT2AFAAHBCHEACHE
SCHEMBL493546 0.87 RAB9A (0.39) THRBKMT2APTGIRFAAHACHE
SCHEMBL493623 0.86 PTGIR (0.40) KMT2APTGIRFAAHBCHEACHE
SCHEMBL493550 0.86 FAAH (0.36) PKMKMT2AFAAHBCHEACHE

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
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US 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 THRB 3770/4885PKM 1161/4885KMT2A 1749/4885

“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.