SCHEMBL493516

SCHEMBL493516

CN(C)C(c1ccccc1)C1CCC(CNC(=O)COCCNCS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 9/20 0.39
SLC9A3 P48764 4/20 0.36
FAAH O00519 4/20 0.35
ACHE P22303 4/20 0.35
BCHE P06276 3/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL493264 0.86 MEN1 (0.32) SLC9A3MEN1KMT2AALDH1A1HPGD
SCHEMBL492844 0.86 PTGIR (0.40) PTGIRSLC9A3FAAHACHEBCHE
SCHEMBL493515 0.84 AVPR1B (0.37) PTGIRFAAHACHEBCHEMEN1
SCHEMBL493109 0.80 SLC9A3 (0.35) PTGIRSLC9A3ALDH1A1
SCHEMBL493160 0.79 PTGIR (0.36) PTGIRSLC9A3MEN1KMT2A
SCHEMBL493901 0.79 PTGIR (0.41) PTGIRMEN1KMT2AALDH1A1HPGD
SCHEMBL493623 0.79 PTGIR (0.40) PTGIRFAAHACHEBCHEMEN1
SCHEMBL493506 0.78 PTGIR (0.35) PTGIRSLC9A3KMT2AHPGD
SCHEMBL494153 0.78 PTGIR (0.35) PTGIRSLC9A3
SCHEMBL492721 0.78 CXCR3 (0.43) PTGIRFAAHACHEBCHEMEN1

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 PTGIR 121/4885SLC9A3 2717/4885FAAH 6/4885

“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.