SCHEMBL3404248

SCHEMBL3404248

Cc1cc(S(=O)(=O)N2CCCCC2CCC(=O)N2CCC(c3ccc(F)cc3)(N3CCN(C)CC3)CC2)c(C)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
BDKRB1 P46663 7/20 0.36
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
HTR7 P34969 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL3407195 0.93 HCRTR1 (0.39) HCRTR1HCRTR2BDKRB1DRD2DRD3
SCHEMBL3412223 0.92 BDKRB1 (0.36) HCRTR1HCRTR2BDKRB1DRD2DRD3
SCHEMBL4374697 0.84 HCRTR1 (0.40) HCRTR1HCRTR2BDKRB1MAPT
SCHEMBL3314516 0.83 BDKRB1 (0.36) HCRTR1HCRTR2BDKRB1SMN1; SMN2MAPT
SCHEMBL4299018 0.83 HCRTR1 (0.36) HCRTR1HCRTR2BDKRB1DRD2DRD4
SCHEMBL3408874 0.82 HCRTR1 (0.38) HCRTR1HCRTR2BDKRB1SMN1; SMN2DRD2
SCHEMBL3408823 0.82 HCRTR1 (0.36) HCRTR1HCRTR2BDKRB1SMN1; SMN2MAPT
SCHEMBL643244 0.82 CACNA1B (0.45) HCRTR1HCRTR2BDKRB1HTTSMN1; SMN2
SCHEMBL3409770 0.81 HCRTR1 (0.40) HCRTR1HCRTR2BDKRB1MAPTLMNA
SCHEMBL5121357 0.81 HCRTR1 (0.39) HCRTR1HCRTR2BDKRB1DRD2DRD4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2257527-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-12-08 EP claimed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US claimed
WO-2009115257-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-09-24 WO claimed
EP-2257527-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-12-08 EP disclosed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US disclosed
WO-2009115257-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-09-24 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 (1 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-20090253669-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 HCRTR1 4142/4885HCRTR2 3980/4885BDKRB1 3589/4885

“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.