SCHEMBL492804

SCHEMBL492804

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CXCR3 P49682 5/20 0.39
PTGIR P43119 1/20 0.38
KMT2A Q03164 2/20 0.38
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
NPC1 O15118 1/20 0.36
TRPA1 O75762 2/20 0.36
RAB9A P51151 1/20 0.35
TAS2R14 Q9NYV8 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
SCHEMBL493602 0.93 MAPT (0.43) HTTALDH1A1LMNACXCR3PTGIR
SCHEMBL492852 0.92 CXCR3 (0.46) HTTALDH1A1LMNACXCR3PTGIR
SCHEMBL493549 0.92 CXCR3 (0.49) HTTALDH1A1LMNACXCR3PTGIR
SCHEMBL493075 0.90 CXCR3 (0.51) HTTALDH1A1LMNACXCR3MMP2
SCHEMBL493295 0.88 PDE4D (0.42) ALDH1A1CXCR3KMT2AMAPTGAA
SCHEMBL493643 0.87 NPSR1 (0.42) HTTALDH1A1LMNACXCR3PTGIR
SCHEMBL493019 0.86 CXCR3 (0.46) LMNACXCR3KMT2AMEN1TAS2R14
SCHEMBL493317 0.86 BDKRB1 (0.40) HTTALDH1A1LMNACXCR3PTGIR
SCHEMBL492544 0.85 PTGIR (0.41) HTTALDH1A1LMNACXCR3PTGIR
SCHEMBL494025 0.85 CXCR3 (0.36) ALDH1A1CXCR3PTGIRHPGD

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 HTT 3541/4885ALDH1A1 1349/4885LMNA 2485/4885

“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.