SCHEMBL493574

SCHEMBL493574

COc1cc(C)c(S(=O)(=O)N2CCN(CCOCC(=O)NCC3CCC(C(CCc4ccccc4)N(C)C)CC3)CC2)c(C)c1C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 7/20 0.43
AVPR1A P37288 7/20 0.42
EPHX2 P34913 2/20 0.40
HTR6 P50406 1/20 0.39
FAAH O00519 2/20 0.38
ACHE P22303 2/20 0.38
BCHE P06276 1/20 0.38
GSK3B P49841 1/20 0.36
ALPL P05186 1/20 0.36
ALPI P09923 1/20 0.36
ALPG P10696 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
SCHEMBL493250 0.92 EPHX2 (0.42) AVPR1BAVPR1AEPHX2HTR6FAAH
SCHEMBL493464 0.88 EPHX2 (0.42) AVPR1BAVPR1AEPHX2HTR6FAAH
SCHEMBL493810 0.88 AVPR1A (0.42) AVPR1BAVPR1AEPHX2HTR6FAAH
SCHEMBL493652 0.86 KMT2A (0.42) FAAHACHEBCHE
SCHEMBL492734 0.86 EPHX2 (0.40) AVPR1BAVPR1AEPHX2HTR6FAAH
SCHEMBL492872 0.85 AVPR1B (0.40) AVPR1BAVPR1A
SCHEMBL493452 0.85 POLB (0.39) AVPR1BAVPR1AEPHX2HTR6FAAH
SCHEMBL493586 0.83 AVPR1B (0.38) AVPR1BAVPR1AFAAHACHEBCHE
SCHEMBL493826 0.83 CXCR3 (0.39) AVPR1BAVPR1A
SCHEMBL492716 0.83 EPHX2 (0.41) AVPR1BAVPR1AEPHX2HTR6

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 AVPR1B 780/4885AVPR1A 537/4885EPHX2 2567/4885

“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.