SCHEMBL3408252

SCHEMBL3408252

CN1CCN(C2(c3cccc(F)c3)CCN(C(=O)CCCC3CCCCN3S(=O)(=O)c3cccc4ccccc34)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 11/20 0.47
HTR1A P08908 7/20 0.47
DRD2 P14416 6/20 0.47
HTR1D P28221 3/20 0.47
HTR2B P41595 3/20 0.47
DRD3 P35462 2/20 0.47
HTR2A P28223 5/20 0.44
HTR1B P28222 1/20 0.44
HTR2C P28335 1/20 0.44
ADRA1B P35368 1/20 0.44
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
CNR1 P21554 2/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 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
SCHEMBL3409977 0.90 HTR7 (0.37) HTR7HTR1ADRD2HTR1DHTR2B
SCHEMBL3412242 0.89 CCR4 (0.37) HTR7HTR1ADRD3HTR2AHTR2C
SCHEMBL3407245 0.84 NPC1 (0.36) HTR7HTR1ABDKRB1
SCHEMBL3409743 0.84 CCR1 (0.34) HTR7
SCHEMBL3442043 0.83 HTR7 (0.48) HTR7HTR1ADRD2HTR1DHTR2B
SCHEMBL3412223 0.82 BDKRB1 (0.36) HTR7HTR1ADRD2HTR1DHTR2B
SCHEMBL3406648 0.78 HCRTR1 (0.36) HCRTR1BDKRB1
SCHEMBL12694771 0.76 NPC1 (0.36) HTR7BDKRB1
SCHEMBL3407195 0.74 HCRTR1 (0.39) HTR7HTR1ADRD2HTR1DHTR2B
SCHEMBL3410519 0.74 BDKRB1 (0.38) BDKRB1

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 2398/4885HTR1A 2108/4885DRD2 3166/4885

“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.