SCHEMBL2569440

SCHEMBL2569440

CN1CCN(C2CCN(C(=O)COCC3CCCCN3S(=O)(=O)c3csc4ccccc34)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.45
BDKRB1 P46663 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTR7 P34969 6/20 0.37
HTR6 P50406 4/20 0.37
HTR1A P08908 3/20 0.37
DRD2 P14416 3/20 0.37
HTR2A P28223 2/20 0.37
HTR1D P28221 2/20 0.36
HTR2B P41595 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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 0.97 BDKRB1 (0.44) ACHEBDKRB1SMN1; SMN2KDM4ECYP2D6
SCHEMBL2569271 0.87 BDKRB1 (0.44) BDKRB1HTR7HTR6HTR1ADRD2
SCHEMBL2569307 0.86 HTR7 (0.51) ACHEBDKRB1SMN1; SMN2CYP2D6CYP2C19
SCHEMBL2568636 0.83 HTR7 (0.51) ACHEBDKRB1SMN1; SMN2KDM4EHTR7
SCHEMBL15204103 0.82 BDKRB1 (0.43) ACHEBDKRB1SMN1; SMN2KDM4ECYP2D6
SCHEMBL2564263 0.82 BDKRB1 (0.48) BDKRB1KDM4EHTR7HTR6HTR1A
SCHEMBL15204075 0.82 BDKRB1 (0.45) ACHEBDKRB1SMN1; SMN2KDM4ECYP2D6
Hydrochloric Acid SCHEMBL2567478 0.82 BDKRB1 (0.42) ACHEBDKRB1SMN1; SMN2KDM4ECYP2D6
SCHEMBL15204065 0.81 ACHE (0.42) ACHEBDKRB1SMN1; SMN2KDM4EHTR2A
Hydrochloric Acid SCHEMBL2570455 0.81 BDKRB1 (0.44) ACHEBDKRB1SMN1; SMN2KDM4ECYP2D6

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 ACHE 1236/4885BDKRB1 2368/4885SMN1; SMN2 45/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 ACHE 1236/4885BDKRB1 2368/4885SMN1; SMN2 45/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 ACHE 1236/4885BDKRB1 2368/4885SMN1; SMN2 45/4885

“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.