SCHEMBL493396

SCHEMBL493396

COc1cc(C)c(S(=O)(=O)N2CCC(OCC(=O)NCC3CCC(C(c4ccccc4)N(C)C)CC3)CC2)c(C)c1C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.44
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
HTR6 P50406 1/20 0.39
AVPR1B P47901 6/20 0.37
FAAH O00519 2/20 0.37
ACHE P22303 2/20 0.37
BCHE P06276 1/20 0.37
AVPR1A P37288 2/20 0.37
HPGD P15428 1/20 0.35
MAPT P10636 1/20 0.35
ATM Q13315 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
SCHEMBL492268 0.96 EPHX2 (0.41) EPHX2KMT2AMEN1HTR6AVPR1B
SCHEMBL493728 0.93 EPHX2 (0.49) EPHX2KMT2AMEN1HTR6AVPR1A
SCHEMBL493245 0.93 EPHX2 (0.43) EPHX2KMT2AMEN1HTR6
SCHEMBL493362 0.92 EPHX2 (0.41) EPHX2KMT2AMEN1HTR6AVPR1B
SCHEMBL493218 0.92 HTR6 (0.39) EPHX2KMT2AMEN1HTR6AVPR1B
SCHEMBL492174 0.90 EPHX2 (0.44) EPHX2KMT2AMEN1HTR6AVPR1B
SCHEMBL493706 0.89 EPHX2 (0.47) EPHX2HTR6AVPR1BAVPR1A
SCHEMBL492724 0.89 EPHX2 (0.40) EPHX2KMT2AMEN1HTR6HPGD
SCHEMBL492708 0.89 EPHX2 (0.42) EPHX2KMT2AMEN1HTR6AVPR1B
SCHEMBL492899 0.88 EPHX2 (0.39) EPHX2KMT2AMEN1HTR6AVPR1B

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 EPHX2 2567/4885KMT2A 1749/4885MEN1 4132/4885

“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.