SCHEMBL2565009

SCHEMBL2565009

O=C(COCC1CCCCN1S(=O)(=O)c1cccc2ccccc12)NCc1ccc(CN2CCOCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.46
HTR1D P28221 3/20 0.46
HTR2B P41595 3/20 0.46
HTR1A P08908 2/20 0.46
DRD2 P14416 2/20 0.46
DRD3 P35462 2/20 0.46
CCR4 P51679 2/20 0.46
HTR1B P28222 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
ADRA1B P35368 1/20 0.43
OPRM1 P35372 1/20 0.42
OPRK1 P41145 1/20 0.42
ALDH1A1 P00352 2/20 0.42
NAMPT P43490 1/20 0.40
USP2 O75604 1/20 0.39
HTT P42858 1/20 0.39
BDKRB1 P46663 1/20 0.38
NPFFR1 Q9GZQ6 1/20 0.38
NPFFR2 Q9Y5X5 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
SCHEMBL2568222 0.86 NAMPT (0.42) ALDH1A1NAMPTHTTLMNAKDM4E
SCHEMBL27758814 0.85 ALDH1A1 (0.38) CCR4ALDH1A1NAMPTUSP2HTT
SCHEMBL2569546 0.83 KMT2A (0.41) ALDH1A1NAMPTHTTLMNAKDM4E
SCHEMBL2567970 0.82 CCR4 (0.51) HTR7HTR1DHTR2BHTR1ADRD2
SCHEMBL2563749 0.80 MEN1 (0.41) OPRM1OPRK1ALDH1A1BDKRB1
SCHEMBL2566295 0.80 ALDH1A1 (0.42) ALDH1A1LMNATSHR
SCHEMBL2568404 0.80 TSHR (0.46) ALDH1A1KDM4ETSHR
SCHEMBL2569042 0.79 MEN1 (0.41) ALDH1A1
SCHEMBL15204107 0.78 CCR4 (0.51) HTR7HTR1DHTR2BHTR1ADRD2
SCHEMBL5132145 0.78 HTR7 (0.57) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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.