SCHEMBL2566754

SCHEMBL2566754

CN1CCC(N2CCN(C(=O)COC[C@@H]3Cc4ccccc4CN3S(=O)(=O)c3ccc(Cl)cc3Cl)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.40
BDKRB1 P46663 2/20 0.40
GAA P10253 1/20 0.40
ACHE P22303 2/20 0.39
CCR3 P51677 2/20 0.39
PSEN1 P49768 3/20 0.37
PSEN2 P49810 3/20 0.37
APH1B Q8WW43 3/20 0.37
NCSTN Q92542 3/20 0.37
APH1A Q96BI3 3/20 0.37
PSENEN Q9NZ42 3/20 0.37
MAPT P10636 1/20 0.37
FNTA P49354 3/20 0.36
FNTB P49356 3/20 0.36
DRD2 P14416 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
POLB P06746 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
SCHEMBL3769761 1.00 GRM5 (0.40) GRM5BDKRB1GAAACHECCR3
SCHEMBL2568399 0.97 ACHE (0.43) GRM5BDKRB1GAAACHECCR3
SCHEMBL2571091 0.92 PSEN1 (0.43) GRM5ACHECCR3PSEN1PSEN2
SCHEMBL2570113 0.91 PSEN1 (0.44) ACHEPSEN1PSEN2APH1BNCSTN
SCHEMBL2564657 0.90 CACNA2D1 (0.42) GRM5BDKRB1GAAPSEN1PSEN2
SCHEMBL2566445 0.90 ACHE (0.42) GRM5GAAACHECCR3PSEN1
SCHEMBL3772158 0.90 CACNA2D1 (0.42) GRM5BDKRB1GAAPSEN1PSEN2
SCHEMBL2568852 0.85 BDKRB1 (0.41) BDKRB1GAAPSEN1PSEN2APH1B
SCHEMBL2568226 0.84 GRM5 (0.37) GRM5GAAPSEN1PSEN2APH1B
SCHEMBL3775346 0.84 GRM5 (0.37) GRM5GAAPSEN1PSEN2APH1B

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 13 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
EP-2066659-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-06-10 EP disclosed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 US disclosed
WO-2008040492-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-04-10 WO 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 GRM5 1968/4885BDKRB1 2368/4885GAA 234/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 GRM5 1968/4885BDKRB1 2368/4885GAA 234/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 GRM5 1968/4885BDKRB1 2368/4885GAA 234/4885

“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.