SCHEMBL3413022

SCHEMBL3413022

CN1CCN(C2(c3cccc(F)c3)CCN(C(=O)COCC3CCc4ccccc4N3S(=O)(=O)c3ccc4ccccc4c3)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.42
HTR6 P50406 4/20 0.42
HTR1A P08908 2/20 0.42
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
DRD3 P35462 2/20 0.42
APP P05067 3/20 0.41
PSEN1 P49768 10/20 0.41
PSEN2 P49810 10/20 0.41
APH1B Q8WW43 10/20 0.41
NCSTN Q92542 10/20 0.41
APH1A Q96BI3 10/20 0.41
PSENEN Q9NZ42 10/20 0.41
DRD4 P21917 1/20 0.38
HTR7 P34969 1/20 0.38

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
SCHEMBL3412507 0.91 APP (0.44) RORCAPPPSEN1PSEN2APH1B
SCHEMBL3406585 0.87 BDKRB1 (0.41) RORCAPPPSEN1PSEN2APH1B
SCHEMBL4296281 0.85 PSEN1 (0.43) RORCAPPPSEN1PSEN2APH1B
SCHEMBL3407964 0.85 APP (0.45) RORCAPPPSEN1PSEN2APH1B
SCHEMBL3405283 0.84 APP (0.47) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL5132282 0.80 RORC (0.49) RORCAPPPSEN1PSEN2APH1B
SCHEMBL2568647 0.80 PSEN1 (0.53) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL3411144 0.76 NPC1 (0.39)
SCHEMBL4383315 0.76 APP (0.49) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL3412242 0.75 CCR4 (0.37) HTR6HTR1AHTR2AHTR2CDRD3

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 RORC 2369/4885HTR6 2898/4885HTR1A 2108/4885

“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.