Sugi Predict

Sugi Predict / Compounds / SCHEMBL3409977

SCHEMBL3409977

SCHEMBL3409977

CN1CCN(C2(c3cccc(F)c3)CCN(C(=O)CCCC3CCCCN3S(=O)(=O)c3ccccc3C(F)(F)F)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 7/20 0.37
▸ HCRTR1 O43613 1/20 0.36
▸ HTR1D P28221 2/20 0.35
▸ HTR2B P41595 2/20 0.35
▸ HTR1A P08908 2/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ SFRP1 Q8N474 1/20 0.35
▸ MCHR1 Q99705 1/20 0.34
▸ KCNQ1 P51787 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ BDKRB1 P46663 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ EPHX2 P34913 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
SCHEMBL3408252 0.90 HTR7 (0.47) HTR7HCRTR1HTR1DHTR2BHTR1A
SCHEMBL3406648 0.88 HCRTR1 (0.36) HCRTR1SFRP1MCHR1KCNQ1GAA
SCHEMBL3412242 0.85 CCR4 (0.37) HTR7HCRTR1HTR1ADRD3GAA
SCHEMBL4296232 0.84 HTR7 (0.38) HTR7HCRTR1HTR1DHTR2BHTR1A
SCHEMBL3407245 0.83 NPC1 (0.36) HTR7HTR1ABDKRB1KMT2A
SCHEMBL3409743 0.83 CCR1 (0.34) HTR7MCHR1GAAALDH1A1
SCHEMBL3412223 0.81 BDKRB1 (0.36) HTR7HCRTR1HTR1DHTR2BHTR1A
SCHEMBL12694771 0.75 NPC1 (0.36) HTR7BDKRB1ALDH1A1KMT2A
SCHEMBL701483 0.75 HTR7 (0.40) HTR7HCRTR1HTR1DHTR2BHTR1A
SCHEMBL3409905 0.74 BDKRB1 (0.51) BDKRB1KMT2A

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-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
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 — — US 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 HTR7 2398/4885HCRTR1 4142/4885HTR1D 1977/4885

“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.