SCHEMBL2564992

SCHEMBL2564992

O=C(COCC1CCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)N1CCC(CCN2CCCCC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 8/20 0.38
HTR1A P08908 4/20 0.38
DRD2 P14416 3/20 0.38
DRD3 P35462 3/20 0.38
HTR1D P28221 3/20 0.38
HTR1B P28222 3/20 0.38
ADRA1B P35368 2/20 0.38
HTR1E P28566 1/20 0.38
THRB P10828 1/20 0.37
CNR1 P21554 1/20 0.36
GAA P10253 3/20 0.36
HPGD P15428 3/20 0.36
TSHR P16473 1/20 0.36
CACNA1I Q9P0X4 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
GLA P06280 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
BDKRB1 P46663 1/20 0.35
HTR2B P41595 2/20 0.34

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
SCHEMBL2566082 0.91 DRD3 (0.43) HTR7HTR1ADRD2DRD3HTR1D
SCHEMBL2569119 0.89 DRD2 (0.43) HTR7HTR1ADRD2DRD3HTR1D
SCHEMBL2563884 0.86 PSEN1 (0.43) CYP2D6CYP3A4
SCHEMBL2567358 0.86 HTR7 (0.56) HTR7HTR1ADRD2DRD3HTR1D
SCHEMBL2569077 0.85 PSEN1 (0.42) CNR1CYP2D6CYP3A4
SCHEMBL15204092 0.84 DRD3 (0.42) HTR7HTR1ADRD2DRD3HTR1D
SCHEMBL15204091 0.84 DRD3 (0.42) HTR7HTR1ADRD2DRD3HTR1D
SCHEMBL2567148 0.84 HTR7 (0.54) HTR7HTR1ADRD2DRD3HTR1D
SCHEMBL2565946 0.84 CNR1 (0.42) CNR1GAAHPGDTSHRKDM4E
Hydrochloric Acid SCHEMBL2572215 0.84 DRD3 (0.42) HTR7HTR1ADRD2DRD3HTR1D

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-20100324009-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-23 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 1762/4885HTR1A 1385/4885DRD2 3634/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 HTR7 1762/4885HTR1A 1385/4885DRD2 3634/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 HTR7 1762/4885HTR1A 1385/4885DRD2 3634/4885

“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.