SCHEMBL492940

SCHEMBL492940

CN(C)C(c1ccccc1)C1CCC(CNC(=O)COCCN(Cc2ccccc2)S(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 8/20 0.47
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
PTGIR P43119 1/20 0.41
TAS2R14 Q9NYV8 6/20 0.39
BMP1 P13497 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL492655 0.94 CXCR3 (0.51) CXCR3KMT2AMEN1TAS2R14LMNA
SCHEMBL492241 0.94 TAS2R14 (0.44) CXCR3KMT2AMEN1PTGIRTAS2R14
SCHEMBL493356 0.92 CXCR3 (0.42) CXCR3KMT2AMEN1PTGIRTAS2R14
SCHEMBL493169 0.89 CXCR3 (0.43) CXCR3KMT2AMEN1TAS2R14BMP1
SCHEMBL493051 0.88 NPSR1 (0.41) CXCR3KMT2AMEN1TAS2R14BMP1
SCHEMBL493019 0.88 CXCR3 (0.46) CXCR3KMT2AMEN1TAS2R14BMP1
SCHEMBL493740 0.87 CXCR3 (0.43) CXCR3PTGIRLMNA
SCHEMBL492261 0.87 TAS2R14 (0.43) CXCR3KMT2AMEN1TAS2R14LMNA
SCHEMBL492603 0.87 CXCR3 (0.44) CXCR3KMT2AMEN1PTGIRTAS2R14
SCHEMBL493441 0.85 AVPR1A (0.40) CXCR3PTGIRLMNA

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 4 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
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 4458/4885KMT2A 1749/4885MEN1 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.