SCHEMBL3772158

SCHEMBL3772158

CN1CCC(CN2CCN(C(=O)COCC3Cc4ccccc4CN3S(=O)(=O)c3ccc(Cl)cc3Cl)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 1/20 0.42
CACNA1B Q00975 1/20 0.42
CACNB1 Q02641 1/20 0.42
CACNA1C Q13936 1/20 0.42
BDKRB1 P46663 2/20 0.41
GRM5 P41594 4/20 0.39
THRB P10828 2/20 0.38
HTR6 P50406 1/20 0.38
GAA P10253 1/20 0.37
TACR1 P25103 2/20 0.37
TRPV4 Q9HBA0 1/20 0.36
CNR1 P21554 2/20 0.36
PSEN1 P49768 2/20 0.36
PSEN2 P49810 2/20 0.36
APH1B Q8WW43 2/20 0.36
NCSTN Q92542 2/20 0.36
APH1A Q96BI3 2/20 0.36
PSENEN Q9NZ42 2/20 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
SCHEMBL2564657 1.00 CACNA2D1 (0.42) CACNA2D1CACNA1BCACNB1CACNA1CBDKRB1
SCHEMBL2566754 0.90 GRM5 (0.40) BDKRB1GRM5GAAPSEN1PSEN2
SCHEMBL3769761 0.90 GRM5 (0.40) BDKRB1GRM5GAAPSEN1PSEN2
SCHEMBL2568399 0.87 ACHE (0.43) BDKRB1GRM5HTR6GAAPSEN1
SCHEMBL2568226 0.86 GRM5 (0.37) GRM5THRBHTR6GAATRPV4
SCHEMBL3775346 0.86 GRM5 (0.37) GRM5THRBHTR6GAATRPV4
SCHEMBL2569723 0.85 TRPV4 (0.48) GRM5THRBTRPV4POLB
SCHEMBL2571091 0.83 PSEN1 (0.43) GRM5PSEN1PSEN2APH1BNCSTN
SCHEMBL2570113 0.83 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15204015 0.82 BDKRB1 (0.48) CACNA2D1CACNA1BCACNB1CACNA1CBDKRB1

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 8 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
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
US-8435978-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-05-07 US 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 CACNA2D1 1666/4885CACNA1B 744/4885CACNB1 1676/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 CACNA2D1 1666/4885CACNA1B 744/4885CACNB1 1676/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 CACNA2D1 1666/4885CACNA1B 744/4885CACNB1 1676/4885

“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.