SCHEMBL493546

SCHEMBL493546

COc1cc(C)c(S(=O)(=O)N2CCCC2COCC(=O)NCC2CCC(C(c3ccccc3)N3CCOCC3)CC2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.39
PTGIR P43119 3/20 0.38
FAAH O00519 1/20 0.36
ACHE P22303 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
THRB P10828 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
SCHEMBL493010 0.98 PTGIR (0.37) RAB9APTGIRFAAHACHEALDH1A1
SCHEMBL493288 0.94 RAB9A (0.41) RAB9APTGIRFAAHACHENPC1
SCHEMBL493572 0.93 PTGIR (0.39) RAB9APTGIRFAAHACHEPOLB
SCHEMBL493699 0.90 ATM (0.37) RAB9AALDH1A1MAPTMAPK1MEN1
SCHEMBL493993 0.89 PTGIR (0.39) PTGIRFAAHACHEALDH1A1MAPT
SCHEMBL493818 0.88 ATM (0.38) RAB9AALDH1A1LMNAMEN1KMT2A
SCHEMBL492959 0.88 DRD2 (0.38) RAB9APTGIRFAAHACHEALDH1A1
SCHEMBL493458 0.87 THRB (0.36) RAB9APTGIRFAAHACHELMNA
SCHEMBL493739 0.86 FAAH (0.37) RAB9APTGIRFAAHACHEALDH1A1
SCHEMBL492921 0.85 THRB (0.35) RAB9APTGIRFAAHACHEALDH1A1

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 RAB9A 2004/4885PTGIR 121/4885FAAH 6/4885

“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.