SCHEMBL493250

SCHEMBL493250

COc1cc(C)c(S(=O)(=O)N2CCC(CCOCC(=O)NCC3CCC(C(CCc4ccccc4)N(C)C)CC3)CC2)c(C)c1C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.42
HTR6 P50406 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
AVPR1B P47901 5/20 0.38
FAAH O00519 2/20 0.37
ACHE P22303 2/20 0.37
BCHE P06276 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
AVPR1A P37288 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL493574 0.92 AVPR1B (0.43) EPHX2HTR6AVPR1BFAAHACHE
SCHEMBL493464 0.91 EPHX2 (0.42) EPHX2HTR6ALDH1A1CYP3A4CYP2D6
SCHEMBL492734 0.89 EPHX2 (0.40) EPHX2HTR6ALDH1A1CYP3A4CYP2D6
SCHEMBL492174 0.88 EPHX2 (0.44) EPHX2HTR6ALDH1A1MEN1KMT2A
SCHEMBL492872 0.86 AVPR1B (0.40) AVPR1BAVPR1A
SCHEMBL493452 0.86 POLB (0.39) EPHX2HTR6ALDH1A1AVPR1BFAAH
SCHEMBL493586 0.85 AVPR1B (0.38) ALDH1A1SMN1; SMN2AVPR1BFAAHACHE
SCHEMBL493826 0.85 CXCR3 (0.39) ALDH1A1SMN1; SMN2AVPR1BAVPR1A
SCHEMBL493400 0.83 EPHX2 (0.42) EPHX2HTR6ALDH1A1MEN1KMT2A
SCHEMBL494144 0.82 EPHX2 (0.43) EPHX2HTR6MEN1KMT2A

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 2114/4885ALDH1A1 1349/4885

“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.