SCHEMBL492760

SCHEMBL492760

COc1cc(C)c(S(=O)(=O)N2CCCC(OCC(=O)NCC3CCC(C(CCc4ccccc4)N4CCCC4)CC3)C2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
FAAH O00519 3/20 0.40
ACHE P22303 3/20 0.40
EPHX2 P34913 2/20 0.38
BCHE P06276 2/20 0.37
ALDH1A1 P00352 2/20 0.37
ATM Q13315 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NPC1 O15118 1/20 0.36
THRB P10828 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL492770 0.97 FAAH (0.41) POLBFAAHACHEEPHX2BCHE
SCHEMBL493125 0.95 POLB (0.39) POLBFAAHACHEEPHX2BCHE
SCHEMBL492808 0.91 FAAH (0.39) POLBFAAHACHEEPHX2BCHE
SCHEMBL493297 0.90 POLB (0.41) POLBFAAHACHEEPHX2BCHE
SCHEMBL493653 0.90 POLB (0.40) POLBEPHX2ALDH1A1ATMTSHR
SCHEMBL493327 0.89 EPHX2 (0.39) POLBFAAHACHEEPHX2BCHE
SCHEMBL493302 0.87 FAAH (0.39) POLBFAAHACHEBCHEALDH1A1
SCHEMBL492628 0.86 EPHX2 (0.39) POLBEPHX2ALDH1A1TSHRGAA
SCHEMBL493324 0.85 POLB (0.39) POLBFAAHACHEEPHX2BCHE
SCHEMBL493596 0.85 EPHX2 (0.41) POLBFAAHACHEEPHX2BCHE

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 POLB 2120/4885FAAH 6/4885ACHE 52/4885

“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.