SCHEMBL492174

SCHEMBL492174

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
HTR6 P50406 1/20 0.38
AVPR1B P47901 5/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36
AVPR1A P37288 1/20 0.36
FAAH O00519 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
PTGIR P43119 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 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
SCHEMBL494144 0.93 EPHX2 (0.43) EPHX2KMT2AMEN1HTR6MAPT
SCHEMBL493129 0.93 EPHX2 (0.50) EPHX2KMT2AMEN1HTR6AVPR1A
SCHEMBL493082 0.93 EPHX2 (0.42) EPHX2KMT2AMEN1HTR6AVPR1B
SCHEMBL493810 0.92 AVPR1A (0.42) EPHX2KMT2AMEN1HTR6AVPR1B
SCHEMBL493396 0.90 EPHX2 (0.44) EPHX2KMT2AMEN1HTR6AVPR1B
SCHEMBL493400 0.89 EPHX2 (0.42) EPHX2KMT2AMEN1HTR6ATM
SCHEMBL493250 0.88 EPHX2 (0.42) EPHX2KMT2AMEN1HTR6AVPR1B
SCHEMBL493636 0.88 EPHX2 (0.50) EPHX2KMT2AMEN1AVPR1AGAA
SCHEMBL492853 0.88 EPHX2 (0.43) EPHX2KMT2AMEN1HTR6AVPR1B
SCHEMBL492268 0.87 EPHX2 (0.41) 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 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 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.