SCHEMBL492666

SCHEMBL492666

COc1cc(C)c(S(=O)(=O)N2CCC(OCC(=O)NC3CCC(C(c4cccc(F)c4)N(C)C)CC3)C2)c(C)c1C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.38
HTR6 P50406 1/20 0.37
AVPR1A P37288 3/20 0.35
PKM P14618 2/20 0.35
TSHR P16473 1/20 0.35
OPRL1 P41146 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
BDKRB1 P46663 1/20 0.32
NPY5R Q15761 1/20 0.32
POLB P06746 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
SCHEMBL492777 0.96 HTR6 (0.36) EPHX2HTR6AVPR1APKMTSHR
SCHEMBL493005 0.96 EPHX2 (0.41) EPHX2HTR6AVPR1APKMTSHR
SCHEMBL493338 0.92 EPHX2 (0.40) EPHX2HTR6AVPR1APKMMEN1
SCHEMBL493194 0.91 BDKRB1 (0.39) EPHX2PKMTSHROPRL1MEN1
SCHEMBL492899 0.91 EPHX2 (0.39) EPHX2HTR6AVPR1AMEN1KMT2A
SCHEMBL493908 0.90 EPHX2 (0.41) EPHX2PKMTSHROPRL1
SCHEMBL493547 0.90 EPHX2 (0.38) EPHX2HTR6AVPR1AMEN1KMT2A
SCHEMBL493278 0.88 SMN1; SMN2 (0.38) EPHX2HTR6AVPR1AMEN1KMT2A
SCHEMBL493556 0.88 EPHX2 (0.42) EPHX2HTR6AVPR1APKMMEN1
SCHEMBL493330 0.87 EPHX2 (0.41) EPHX2HTR6AVPR1APKMTSHR

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 2114/4885AVPR1A 537/4885

“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.