SCHEMBL493356

SCHEMBL493356

CN(C)C(c1cccc(F)c1)C1CCC(CNC(=O)COCCN(Cc2ccccc2)S(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 7/20 0.42
TAS2R14 Q9NYV8 5/20 0.40
PTGIR P43119 2/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
NR1H4 Q96RI1 1/20 0.35
TACR3 P29371 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
SCHEMBL492996 0.93 KMT2A (0.40) CXCR3TAS2R14KMT2AMEN1NR1H4
SCHEMBL492940 0.92 CXCR3 (0.47) CXCR3TAS2R14PTGIRKMT2AMEN1
SCHEMBL492241 0.92 TAS2R14 (0.44) CXCR3TAS2R14PTGIRKMT2AMEN1
SCHEMBL493377 0.90 NPSR1 (0.42) TAS2R14KMT2AMEN1NR1H4TACR3
SCHEMBL492554 0.89 CXCR3 (0.40) CXCR3PTGIR
SCHEMBL493247 0.87 AVPR1A (0.37) CXCR3PTGIR
SCHEMBL492655 0.87 CXCR3 (0.51) CXCR3TAS2R14KMT2AMEN1
SCHEMBL493251 0.86 HTR6 (0.38) PTGIRKMT2AMEN1
SCHEMBL492261 0.84 TAS2R14 (0.43) CXCR3TAS2R14KMT2AMEN1NR1H4
SCHEMBL493346 0.84 HTR6 (0.37) PTGIRKMT2AMEN1

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 4458/4885TAS2R14 1127/4885PTGIR 121/4885

“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.