SCHEMBL2568636

SCHEMBL2568636

CN1CCC(N2CCN(C(=O)COCC3CCCCN3S(=O)(=O)c3cccc4ccccc34)CC2)CC1

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
HTR2A P28223 2/20 0.47
HTR2C P28335 2/20 0.47
HTR1B P28222 1/20 0.47
ADRA1B P35368 1/20 0.47
CNR1 P21554 4/20 0.45
ACHE P22303 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
KDM4E B2RXH2 1/20 0.40
BDKRB1 P46663 1/20 0.40
CCR4 P51679 1/20 0.39
NR1D1 P20393 1/20 0.39
TP53 P04637 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
SCHEMBL2569307 0.97 HTR7 (0.51) HTR7HTR1DHTR2BHTR1ADRD2
SCHEMBL2564819 0.92 HTR7 (0.50) HTR7HTR1DHTR2BHTR1ADRD2
SCHEMBL15204064 0.91 BDKRB1 (0.46) HTR7HTR1DHTR2BHTR1ADRD2
Hydrochloric Acid SCHEMBL2569519 0.90 BDKRB1 (0.46) HTR7HTR1DHTR2BHTR1ADRD2
SCHEMBL15204103 0.89 BDKRB1 (0.43) HTR7HTR1DHTR2BHTR1ADRD2
SCHEMBL15204075 0.89 BDKRB1 (0.45) HTR7ACHESMN1; SMN2KDM4EBDKRB1
SCHEMBL15204097 0.89 KMT2A (0.43) HTR7HTR1DHTR2BHTR1ADRD2
Hydrochloric Acid SCHEMBL2567478 0.89 BDKRB1 (0.42) HTR7HTR1DHTR2BHTR1ADRD2
SCHEMBL15204065 0.88 ACHE (0.42) HTR2AHTR2CACHESMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL2570455 0.88 BDKRB1 (0.44) HTR7ACHESMN1; SMN2KDM4EBDKRB1

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.