SCHEMBL2569271

SCHEMBL2569271

CN1CCC(CN2CCN(C(=O)COCC3CCCCN3S(=O)(=O)c3csc4ccccc34)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 3/20 0.44
CACNA2D1 P54289 1/20 0.42
CACNA1B Q00975 1/20 0.42
CACNB1 Q02641 1/20 0.42
CACNA1C Q13936 1/20 0.42
MAPT P10636 1/20 0.39
HTR7 P34969 13/20 0.38
HTR1A P08908 11/20 0.38
DRD2 P14416 11/20 0.38
HTR2A P28223 10/20 0.38
HTR6 P50406 10/20 0.38
HTR1D P28221 2/20 0.37
HTR2B P41595 2/20 0.37
DRD3 P35462 1/20 0.37
CYP3A4 P08684 1/20 0.35
SLC6A4 P31645 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRK1 P41145 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
SCHEMBL2564342 0.90 BDKRB1 (0.44) BDKRB1MAPTHTR7HTR1ADRD2
SCHEMBL2569440 0.87 ACHE (0.45) BDKRB1MAPTHTR7HTR1ADRD2
SCHEMBL2564263 0.81 BDKRB1 (0.48) BDKRB1MAPTHTR7HTR1ADRD2
SCHEMBL5121394 0.80 BDKRB1 (0.42) BDKRB1HTR7HTR1ADRD2HTR2A
SCHEMBL5122788 0.78 MEN1 (0.43) BDKRB1HTR7HTR1ADRD2HTR2A
SCHEMBL2569876 0.78 BDKRB1 (0.53) BDKRB1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL15204073 0.78 BDKRB1 (0.64) BDKRB1CACNA2D1CACNA1BCACNB1CACNA1C
Hydrochloric Acid SCHEMBL2569107 0.77 BDKRB1 (0.63) BDKRB1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL2568136 0.76 ATM (0.41) BDKRB1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL2568636 0.76 HTR7 (0.51) BDKRB1HTR7HTR1ADRD2HTR2A

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 11 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
US-8435978-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-05-07 US 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 BDKRB1 2368/4885CACNA2D1 1666/4885CACNA1B 744/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 BDKRB1 2368/4885CACNA2D1 1666/4885CACNA1B 744/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 BDKRB1 2368/4885CACNA2D1 1666/4885CACNA1B 744/4885

“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.