SCHEMBL493436

SCHEMBL493436

COc1ccc(S(=O)(=O)N2CCCCC2COCC(=O)NCC2CCC(C(CCc3ccccc3)N(C)C)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.45
NPC1 O15118 1/20 0.45
FAAH O00519 1/20 0.44
ACHE P22303 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
FKBP1A P62942 2/20 0.43
CXCR3 P49682 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MMP1 P03956 2/20 0.41
MMP9 P14780 2/20 0.41
MMP3 P08254 1/20 0.41
MMP7 P09237 1/20 0.41
PAX8 Q06710 1/20 0.41
MMP13 P45452 1/20 0.41

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
SCHEMBL493078 0.98 FAAH (0.44) RAB9ANPC1FAAHACHEL3MBTL1
SCHEMBL493665 0.93 RAB9A (0.47) RAB9ANPC1FAAHACHEL3MBTL1
SCHEMBL492903 0.91 POLB (0.43) L3MBTL1FKBP1A
SCHEMBL493269 0.90 POLB (0.40) RAB9ANPC1FAAHACHEMEN1
SCHEMBL493786 0.90 FKBP1A (0.40) FAAHACHEFKBP1AMMP9
SCHEMBL492905 0.88 CXCR3 (0.42) FAAHACHEL3MBTL1CXCR3MEN1
SCHEMBL494439 0.88 HTR7 (0.39) FAAHACHEFKBP1AMMP9
SCHEMBL492877 0.87 RAB9A (0.47) RAB9ANPC1FAAHACHEFKBP1A
SCHEMBL492697 0.82 ALDH1A1 (0.47) RAB9ANPC1MEN1KMT2AMMP1
SCHEMBL492954 0.82 ALDH1A1 (0.41) NPC1FAAHACHEL3MBTL1MEN1

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 RAB9A 2004/4885NPC1 519/4885FAAH 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.