SCHEMBL493019

SCHEMBL493019

CN(C)C(CCc1ccccc1)C1CCC(CNC(=O)COCCN(Cc2ccccc2)S(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 7/20 0.46
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 2/20 0.40
TAS2R14 Q9NYV8 6/20 0.39
CNR2 P34972 1/20 0.38
BMP1 P13497 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL493271 0.88 CXCR3 (0.44) CXCR3TAS2R14BMP1
SCHEMBL492940 0.88 CXCR3 (0.47) CXCR3KMT2AMEN1LMNATAS2R14
SCHEMBL493602 0.87 MAPT (0.43) CXCR3KMT2AMEN1LMNATAS2R14
SCHEMBL492852 0.86 CXCR3 (0.46) CXCR3KMT2AMEN1LMNATAS2R14
SCHEMBL492804 0.86 HTT (0.41) CXCR3KMT2AMEN1LMNATAS2R14
SCHEMBL493826 0.86 CXCR3 (0.39) CXCR3LMNA
SCHEMBL493549 0.86 CXCR3 (0.49) CXCR3KMT2AMEN1LMNATAS2R14
SCHEMBL492655 0.84 CXCR3 (0.51) CXCR3KMT2AMEN1LMNATAS2R14
SCHEMBL492241 0.84 TAS2R14 (0.44) CXCR3KMT2AMEN1TAS2R14
SCHEMBL493169 0.83 CXCR3 (0.43) CXCR3KMT2AMEN1LMNATAS2R14

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 8 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
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 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.