SCHEMBL2569451

SCHEMBL2569451

O=C(COCC1CCCCN1S(=O)(=O)c1cccc2ccccc12)N1CCCC1CN1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.51
HTR1D P28221 3/20 0.51
HTR2B P41595 3/20 0.51
HTR1A P08908 2/20 0.51
DRD2 P14416 2/20 0.51
DRD3 P35462 2/20 0.51
HTR1B P28222 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
ADRA1B P35368 1/20 0.49
CNR1 P21554 3/20 0.44
OPRK1 P41145 1/20 0.42
CCR4 P51679 1/20 0.42
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
HRH3 Q9Y5N1 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KCNH2 Q12809 1/20 0.40
EPHX2 P34913 1/20 0.40

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
SCHEMBL5132145 0.83 HTR7 (0.57) HTR7HTR1DHTR2BHTR1ADRD2
SCHEMBL2569132 0.82 HCRTR1 (0.47) HTR7HTR1DHTR2BHTR1ADRD2
SCHEMBL2569166 0.81 HTR7 (0.46) HTR7HTR1DHTR2BHTR1ADRD2
SCHEMBL2564819 0.80 HTR7 (0.50) HTR7HTR1DHTR2BHTR1ADRD2
SCHEMBL15204107 0.80 CCR4 (0.51) HTR7HTR1DHTR2BHTR1ADRD2
SCHEMBL2570783 0.78 HTR7 (0.49) HTR7HTR1DHTR2BHTR1ADRD2
SCHEMBL2570165 0.78 OPRK1 (0.41) OPRK1UTS2R
SCHEMBL2569307 0.77 HTR7 (0.51) HTR7HTR1DHTR2BHTR1ADRD2
SCHEMBL2568636 0.77 HTR7 (0.51) HTR7HTR1DHTR2BHTR1ADRD2
SCHEMBL14905736 0.77 HTR7 (0.47) HTR7HTR1DHTR2BHTR1ADRD2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066659-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2013-08-28 EP claimed
EP-2383267-A1 Substituted sulfonamide derivatives Grünenthal GmbH (DE) 2011-11-02 EP claimed
US-20100317644-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-16 US claimed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 US claimed
EP-2066659-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2013-08-28 EP disclosed
US-8435978-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-05-07 US disclosed
EP-2383267-A1 Substituted sulfonamide derivatives Grünenthal GmbH (DE) 2011-11-02 EP disclosed
US-20100324009-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-23 US disclosed
US-20100317644-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-16 US disclosed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 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 (3 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-20100317644-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 HTR7 1762/4885HTR1D 1526/4885HTR2B 870/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 HTR7 1762/4885HTR1D 1526/4885HTR2B 870/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 HTR7 1762/4885HTR1D 1526/4885HTR2B 870/4885

“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.