SCHEMBL492777

SCHEMBL492777

COc1cc(C)c(S(=O)(=O)N2CCCC(OCC(=O)NC3CCC(C(c4cccc(F)c4)N(C)C)CC3)C2)c(C)c1C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.36
EPHX2 P34913 1/20 0.36
LMNA P02545 5/20 0.35
ALDH1A1 P00352 4/20 0.35
GAA P10253 2/20 0.35
OPRL1 P41146 1/20 0.35
AVPR1A P37288 2/20 0.35
SMN1; SMN2 Q16637 5/20 0.34
MAPT P10636 2/20 0.34
TP53 P04637 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
PKM P14618 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL492666 0.96 EPHX2 (0.38) HTR6EPHX2LMNAALDH1A1GAA
SCHEMBL493278 0.93 SMN1; SMN2 (0.38) HTR6EPHX2LMNAALDH1A1GAA
SCHEMBL493005 0.92 EPHX2 (0.41) HTR6EPHX2LMNAALDH1A1GAA
SCHEMBL492861 0.91 HTR6 (0.37) HTR6EPHX2LMNAGAAAVPR1A
SCHEMBL493386 0.90 EPHX2 (0.36) HTR6EPHX2LMNAGAAAVPR1A
SCHEMBL493338 0.89 EPHX2 (0.40) HTR6EPHX2LMNAALDH1A1GAA
SCHEMBL493194 0.87 BDKRB1 (0.39) EPHX2LMNAOPRL1SMN1; SMN2MEN1
SCHEMBL492899 0.87 EPHX2 (0.39) HTR6EPHX2AVPR1ASMN1; SMN2MEN1
SCHEMBL493908 0.86 EPHX2 (0.41) EPHX2OPRL1PKMTSHR
SCHEMBL492701 0.86 EPHX2 (0.36) HTR6EPHX2LMNAALDH1A1GAA

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
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US 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 2567/4885LMNA 2485/4885

“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.