SCHEMBL3442292

SCHEMBL3442292

O=C(CCCC1CCCCN1S(=O)(=O)c1ccccc1C(F)(F)F)N1CCC(OCCN2CCCC2)(c2cccnc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 12/20 0.36
HTR1A P08908 7/20 0.34
DRD2 P14416 6/20 0.34
HTR1D P28221 2/20 0.34
HTR2B P41595 2/20 0.34
DRD3 P35462 1/20 0.34
KCNQ1 P51787 1/20 0.34
HCRTR1 O43613 1/20 0.34
NAMPT P43490 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTR2A P28223 5/20 0.33
HTR6 P50406 5/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL3441798 0.89 KCNQ1 (0.34) KCNQ1HCRTR1NAMPT
SCHEMBL3441795 0.89 KCNQ1 (0.34) KCNQ1HCRTR1NAMPT
SCHEMBL3442273 0.89 HTR7 (0.48) HTR7HTR1ADRD2HTR1DHTR2B
SCHEMBL4296232 0.89 HTR7 (0.38) HTR7HTR1ADRD2HTR1DHTR2B
SCHEMBL701104 0.88 HTR7 (0.39) HTR7HTR1ADRD2HTR1DHTR2B
SCHEMBL3441516 0.85 CASP3 (0.38) HTR7NAMPTALDH1A1
SCHEMBL3441912 0.83 DRD2 (0.37) HTR7DRD2DRD3NAMPTALDH1A1
SCHEMBL3441590 0.82 NPY1R (0.35) DRD2DRD3NAMPT
SCHEMBL701483 0.81 HTR7 (0.40) HTR7HTR1ADRD2HTR1DHTR2B
SCHEMBL3441500 0.81 HTR7 (0.49) HTR7HTR1ADRD2HTR1DHTR2B

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-8318769-B2 Substituted sulfonamide compounds GRUENETHAL GMBH (DE) 2012-11-27 US claimed
EP-2262792-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-12-22 EP claimed
US-20090264400-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 US claimed
WO-2009124733-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2009-10-15 WO claimed
US-8318769-B2 Substituted sulfonamide compounds GRUENETHAL GMBH (DE) 2012-11-27 US disclosed
EP-2262792-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-12-22 EP disclosed
US-20090264400-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 US disclosed
WO-2009124733-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2009-10-15 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-20090264400-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, TRPV1 HTR7 939/4885HTR1A 372/4885DRD2 2728/4885

“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.