SCHEMBL492852

SCHEMBL492852

CN(C)C(CCc1ccccc1)C1CCC(CNC(=O)COCCN(C)S(=O)(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 6/20 0.46
LMNA P02545 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.41
FAAH O00519 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
TAS2R14 Q9NYV8 1/20 0.39
PTGIR P43119 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 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
SCHEMBL493602 0.93 MAPT (0.43) CXCR3LMNAALDH1A1HTTTAS2R14
SCHEMBL492804 0.92 HTT (0.41) CXCR3LMNAALDH1A1HTTTAS2R14
SCHEMBL493549 0.92 CXCR3 (0.49) CXCR3LMNAALDH1A1HTTFAAH
SCHEMBL493427 0.89 CXCR3 (0.37) CXCR3LMNAALDH1A1FAAHBCHE
SCHEMBL494025 0.89 CXCR3 (0.36) CXCR3ALDH1A1FAAHBCHEACHE
SCHEMBL493317 0.89 BDKRB1 (0.40) CXCR3LMNAALDH1A1HTTFAAH
SCHEMBL493075 0.89 CXCR3 (0.51) CXCR3LMNAALDH1A1HTTFAAH
SCHEMBL493295 0.88 PDE4D (0.42) CXCR3ALDH1A1KMT2APOLBGAA
SCHEMBL493019 0.86 CXCR3 (0.46) CXCR3LMNATAS2R14KMT2AMEN1
SCHEMBL492721 0.85 CXCR3 (0.43) CXCR3LMNAALDH1A1HTTFAAH

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
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
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US 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 CXCR3 4458/4885LMNA 2485/4885ALDH1A1 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.