SCHEMBL492870

SCHEMBL492870

O=C(COC1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)C1)NCC1CCC(C(c2ccccc2)N2CCCC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 7/20 0.38
ACHE P22303 7/20 0.38
BCHE P06276 5/20 0.38
ACLY P53396 2/20 0.36
EPHX2 P34913 1/20 0.36
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CACNA2D1 P54289 1/20 0.35
CACNA1B Q00975 1/20 0.35
CACNB1 Q02641 1/20 0.35
CACNA1C Q13936 1/20 0.35
CNR1 P21554 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HRH1 P35367 1/20 0.33
CCR3 P51677 1/20 0.33
KCNH2 Q12809 1/20 0.33
ATM Q13315 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
SCHEMBL493203 0.96 FAAH (0.37) FAAHACHEBCHEACLYEPHX2
SCHEMBL493584 0.93 LMNA (0.38) FAAHACHEBCHEACLYEPHX2
SCHEMBL493619 0.90 KMT2A (0.37) FAAHACHEBCHEALDH1A1L3MBTL1
SCHEMBL492856 0.89 SMN1; SMN2 (0.40) ACLYEPHX2ALDH1A1CACNA2D1CACNA1B
SCHEMBL492543 0.88 FAAH (0.39) FAAHACHEBCHEACLYEPHX2
SCHEMBL493261 0.87 PTGIR (0.38) FAAHACHEBCHEACLYCACNA2D1
SCHEMBL493596 0.86 EPHX2 (0.41) FAAHACHEBCHEEPHX2MEN1
SCHEMBL492834 0.85 SMN1; SMN2 (0.42) ALDH1A1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL493302 0.84 FAAH (0.39) FAAHACHEBCHEACLYALDH1A1
SCHEMBL493465 0.84 KMT2A (0.37) FAAHACHEBCHEACLYEPHX2

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 FAAH 6/4885ACHE 52/4885BCHE 3050/4885

“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.