SCHEMBL493636

SCHEMBL493636

COc1cc(C)c(S(=O)(=O)N2CCC(CCOCC(=O)NCCC3CCC(C(c4ccc(Cl)cc4)N(C)C)CC3)CC2)c(C)c1C

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.50
AVPR1A P37288 6/20 0.39
GAA P10253 2/20 0.37
FPR2 P25090 3/20 0.36
PROKR1 Q8TCW9 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR4 Q13639 2/20 0.36
HTT P42858 1/20 0.36
BDKRB1 P46663 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL493129 0.94 EPHX2 (0.50) EPHX2AVPR1AGAAFPR2PROKR1
SCHEMBL493076 0.93 EPHX2 (0.46) EPHX2AVPR1AHTR4
SCHEMBL492853 0.93 EPHX2 (0.43) EPHX2MEN1KMT2AHTR4BDKRB1
SCHEMBL493146 0.92 EPHX2 (0.48) EPHX2AVPR1AGAAFPR2PROKR1
SCHEMBL494263 0.89 EPHX2 (0.46) EPHX2AVPR1AGAAFPR2PROKR1
SCHEMBL494077 0.89 EPHX2 (0.42) EPHX2MEN1KMT2ABDKRB1
SCHEMBL494144 0.88 EPHX2 (0.43) EPHX2MEN1KMT2AHTR4BDKRB1
SCHEMBL492174 0.88 EPHX2 (0.44) EPHX2AVPR1AGAAMEN1KMT2A
SCHEMBL493207 0.88 BDKRB1 (0.42) EPHX2AVPR1ABDKRB1
SCHEMBL493512 0.87 EPHX2 (0.40) EPHX2AVPR1AGAAKMT2AHTR4

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 2567/4885AVPR1A 537/4885GAA 445/4885

“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.