SCHEMBL493218

SCHEMBL493218

COc1cc(C)c(S(=O)(=O)N2CCCC(OCC(=O)NCC3CCC(C(c4ccccc4)N(C)C)CC3)C2)c(C)c1C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.39
EPHX2 P34913 2/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
AVPR1A P37288 2/20 0.37
AVPR1B P47901 6/20 0.36
HPGD P15428 1/20 0.35
FAAH O00519 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 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
SCHEMBL492268 0.96 EPHX2 (0.41) HTR6EPHX2MEN1KMT2AAVPR1A
SCHEMBL492790 0.93 EPHX2 (0.38) HTR6EPHX2MEN1KMT2ALMNA
SCHEMBL492889 0.93 EPHX2 (0.44) HTR6EPHX2MEN1KMT2AAVPR1A
SCHEMBL492861 0.93 HTR6 (0.37) HTR6EPHX2MEN1KMT2AAVPR1A
SCHEMBL493396 0.92 EPHX2 (0.44) HTR6EPHX2MEN1KMT2AAVPR1A
SCHEMBL492671 0.89 EPHX2 (0.37) HTR6EPHX2MEN1KMT2AAVPR1A
SCHEMBL493706 0.89 EPHX2 (0.47) HTR6EPHX2AVPR1AAVPR1B
SCHEMBL492724 0.89 EPHX2 (0.40) HTR6EPHX2MEN1KMT2AHPGD
SCHEMBL493452 0.89 POLB (0.39) HTR6EPHX2AVPR1AAVPR1BHPGD
SCHEMBL492899 0.89 EPHX2 (0.39) HTR6EPHX2MEN1KMT2AAVPR1A

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 2567/4885MEN1 4132/4885

“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.