SCHEMBL492861

SCHEMBL492861

COc1cc(C)c(S(=O)(=O)N2CCCC(OCC(=O)NCC3CCC(C(c4cccc(F)c4)N(C)C)CC3)C2)c(C)c1C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.37
EPHX2 P34913 1/20 0.37
TP53 P04637 2/20 0.33
MAPT P10636 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
AVPR1A P37288 2/20 0.33
KCNH2 Q12809 1/20 0.33
FFAR1 O14842 1/20 0.32
ROCK2 O75116 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.32
MCHR1 Q99705 1/20 0.32

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
SCHEMBL492899 0.96 EPHX2 (0.39) HTR6EPHX2KMT2AMEN1AVPR1A
SCHEMBL493386 0.94 EPHX2 (0.36) HTR6EPHX2TP53MAPTGAA
SCHEMBL492790 0.93 EPHX2 (0.38) HTR6EPHX2TP53MAPTGAA
SCHEMBL493218 0.93 HTR6 (0.39) HTR6EPHX2KMT2AMEN1AVPR1A
SCHEMBL493362 0.92 EPHX2 (0.41) HTR6EPHX2KMT2AMEN1AVPR1A
SCHEMBL492777 0.91 HTR6 (0.36) HTR6EPHX2TP53MAPTGAA
SCHEMBL493547 0.90 EPHX2 (0.38) HTR6EPHX2KMT2AMEN1AVPR1A
SCHEMBL492889 0.89 EPHX2 (0.44) HTR6EPHX2MAPTGAAKMT2A
SCHEMBL492724 0.89 EPHX2 (0.40) HTR6EPHX2TP53GAAKMT2A
SCHEMBL492268 0.89 EPHX2 (0.41) HTR6EPHX2KMT2AMEN1AVPR1A

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 HTR6 2114/4885EPHX2 2567/4885TP53 4136/4885

“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.