SCHEMBL493452

SCHEMBL493452

COc1cc(C)c(S(=O)(=O)N2CCCC(OCC(=O)NCC3CCC(C(CCc4ccccc4)N(C)C)CC3)C2)c(C)c1C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
ATM Q13315 1/20 0.39
AVPR1A P37288 4/20 0.38
HTR6 P50406 1/20 0.38
EPHX2 P34913 1/20 0.38
AVPR1B P47901 6/20 0.37
FAAH O00519 2/20 0.37
ACHE P22303 2/20 0.37
BCHE P06276 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL492734 0.96 EPHX2 (0.40) POLBAVPR1AHTR6EPHX2AVPR1B
SCHEMBL493464 0.93 EPHX2 (0.42) AVPR1AHTR6EPHX2AVPR1BFAAH
SCHEMBL493218 0.89 HTR6 (0.39) POLBAVPR1AHTR6EPHX2AVPR1B
SCHEMBL492863 0.87 FAAH (0.41) POLBEPHX2FAAHACHEBCHE
SCHEMBL494143 0.86 EPHX2 (0.47) EPHX2FAAHACHEBCHEKDM4E
SCHEMBL493250 0.86 EPHX2 (0.42) AVPR1AHTR6EPHX2AVPR1BFAAH
SCHEMBL494162 0.86 ALDH1A1 (0.42) POLBFAAHACHEBCHEALDH1A1
SCHEMBL493574 0.85 AVPR1B (0.43) AVPR1AHTR6EPHX2AVPR1BFAAH
SCHEMBL492268 0.84 EPHX2 (0.41) AVPR1AHTR6EPHX2AVPR1BFAAH
SCHEMBL492671 0.84 EPHX2 (0.37) AVPR1AHTR6EPHX2AVPR1BKDM4E

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 POLB 2120/4885ATM 1904/4885AVPR1A 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.