SCHEMBL2490838

SCHEMBL2490838

CN1CCN(C(c2ccccc2)C2CCC(NC(=O)CC3CCCN3S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.45
HTR1A P08908 1/20 0.45
DRD2 P14416 1/20 0.45
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45
HTR1E P28566 1/20 0.45
ADRA1B P35368 1/20 0.45
DRD3 P35462 1/20 0.45
BDKRB1 P46663 6/20 0.42
HCRTR1 O43613 2/20 0.41
HCRTR2 O43614 2/20 0.41
RECQL P46063 1/20 0.41
CCR4 P51679 1/20 0.41
CACNA2D1 P54289 3/20 0.40
CACNA1B Q00975 3/20 0.40
CACNB1 Q02641 3/20 0.40
CACNA1C Q13936 3/20 0.40
TSHR P16473 1/20 0.40
HTR6 P50406 1/20 0.40

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
SCHEMBL645723 0.98 BDKRB1 (0.44) HTR7HTR1ADRD2HTR1DHTR1B
SCHEMBL643283 0.94 TSHR (0.44) HTR7HTR1ADRD2HTR1DHTR1B
SCHEMBL643511 0.92 BDKRB1 (0.43) HTR7HTR1ADRD2HTR1DHTR1B
SCHEMBL643351 0.91 KMT2A (0.48) HTR7HTR1ADRD2HTR1DHTR1B
SCHEMBL642942 0.89 KMT2A (0.45) HTR7HTR1ADRD2HTR1DHTR1B
SCHEMBL643083 0.83 TSHR (0.43) HTR7HTR1ADRD2HTR1DHTR1B
SCHEMBL643928 0.81 BDKRB1 (0.59) BDKRB1
SCHEMBL645044 0.81 TSHR (0.41) HTR7HTR1ADRD2HTR1DHTR1B
SCHEMBL644025 0.80 KMT2A (0.47) HTR7HTR1ADRD2HTR1DHTR1B
SCHEMBL644112 0.79 TSHR (0.43) HTR7HTR1ADRD2HTR1DHTR1B

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-2150530-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2011-10-26 EP claimed
EP-2150530-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-02-10 EP claimed
US-20080312231-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-12-18 US claimed
WO-2008131947-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO claimed
EP-2150530-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2011-10-26 EP disclosed
EP-2150530-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-02-10 EP disclosed
US-20080312231-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-12-18 US disclosed
WO-2008131947-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 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-20080312231-A1 Substituted Sulfonamide Compounds SULT2A1, SULT1A1, SCN1A HTR7 1720/4885HTR1A 799/4885DRD2 4317/4885

“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.