SCHEMBL492899

SCHEMBL492899

COc1cc(C)c(S(=O)(=O)N2CCC(OCC(=O)NCC3CCC(C(c4cccc(F)c4)N(C)C)CC3)C2)c(C)c1C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.39
HTR6 P50406 1/20 0.38
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KCNH2 Q12809 2/20 0.33
FFAR1 O14842 1/20 0.33
ROCK2 O75116 1/20 0.33
AVPR1B P47901 4/20 0.32
CCL5 P13501 2/20 0.32
AVPR1A P37288 1/20 0.32
FAAH O00519 1/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL492861 0.96 HTR6 (0.37) EPHX2HTR6MEN1KMT2AKCNH2
SCHEMBL493362 0.96 EPHX2 (0.41) EPHX2HTR6MEN1KMT2AKCNH2
SCHEMBL493547 0.94 EPHX2 (0.38) EPHX2HTR6MEN1KMT2AKCNH2
SCHEMBL492724 0.93 EPHX2 (0.40) EPHX2HTR6MEN1KMT2AKCNH2
SCHEMBL492268 0.93 EPHX2 (0.41) EPHX2HTR6MEN1KMT2AAVPR1B
SCHEMBL494220 0.91 EPHX2 (0.36) EPHX2MEN1KMT2AKCNH2FFAR1
SCHEMBL492666 0.91 EPHX2 (0.38) EPHX2HTR6MEN1KMT2AAVPR1A
SCHEMBL493249 0.91 EPHX2 (0.42) EPHX2MEN1KMT2A
SCHEMBL493386 0.90 EPHX2 (0.36) EPHX2HTR6MEN1KMT2AAVPR1B
SCHEMBL493990 0.90 EPHX2 (0.40) EPHX2HTR6MEN1KMT2AAVPR1B

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 2567/4885HTR6 2114/4885MEN1 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.