SCHEMBL493572

SCHEMBL493572

COc1cc(C)c(S(=O)(=O)N2CCCCC2COCC(=O)NCC2CCC(C(c3ccccc3)N3CCCC3)CC2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 5/20 0.39
RAB9A P51151 4/20 0.39
FAAH O00519 1/20 0.38
ACHE P22303 1/20 0.38
NPC1 O15118 2/20 0.38
POLB P06746 1/20 0.35
EPHX2 P34913 1/20 0.35
FFAR1 O14842 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL493288 0.99 RAB9A (0.41) PTGIRRAB9AFAAHACHENPC1
SCHEMBL493010 0.95 PTGIR (0.37) PTGIRRAB9AFAAHACHENPC1
SCHEMBL493546 0.93 RAB9A (0.39) PTGIRRAB9AFAAHACHENPC1
SCHEMBL492997 0.90 RAB9A (0.37) RAB9ANPC1POLB
SCHEMBL493955 0.88 RAB9A (0.38) RAB9ANPC1
SCHEMBL494616 0.88 FAAH (0.40) PTGIRRAB9AFAAHACHENPC1
SCHEMBL493814 0.87 PTGIR (0.41) PTGIRFAAHACHEPOLBEPHX2
SCHEMBL493455 0.86 PTGIR (0.37) PTGIRFAAHACHE
SCHEMBL492876 0.86 FAAH (0.40) PTGIRRAB9AFAAHACHEPOLB
SCHEMBL492720 0.86 CACNA2D1 (0.36) RAB9ANPC1

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 4 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
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 PTGIR 121/4885RAB9A 2004/4885FAAH 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.