SCHEMBL645236

SCHEMBL645236

O=C(O)CC1CCCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.59
HTR7 P34969 2/20 0.56
HTR1A P08908 1/20 0.56
DRD2 P14416 1/20 0.56
HTR1D P28221 1/20 0.56
HTR1B P28222 1/20 0.56
HTR1E P28566 1/20 0.56
ADRA1B P35368 1/20 0.56
DRD3 P35462 1/20 0.56
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
PSEN1 P49768 2/20 0.52
PSEN2 P49810 2/20 0.52
APH1B Q8WW43 2/20 0.52
NCSTN Q92542 2/20 0.52
APH1A Q96BI3 2/20 0.52
PSENEN Q9NZ42 2/20 0.52
HCRTR1 O43613 2/20 0.50
HCRTR2 O43614 2/20 0.50
RECQL P46063 1/20 0.50

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
SCHEMBL643115 0.96 HTR7 (0.60) TSHRHTR7HTR1ADRD2HTR1D
SCHEMBL643313 0.86 HTR7 (0.55) TSHRHTR7HTR1ADRD2HTR1D
SCHEMBL5088383 0.85 TSHR (0.54) TSHRHTR7HTR1ADRD2HTR1D
SCHEMBL3638393 0.83 HTR7 (0.58) TSHRHTR7HTR1ADRD2HTR1D
SCHEMBL644395 0.82 HTR7 (0.59) TSHRHTR7HTR1ADRD2HTR1D
SCHEMBL8693171 0.82 PSEN1 (0.52) TSHRPSEN1PSEN2APH1BNCSTN
SCHEMBL5092685 0.81 HTR7 (0.55) TSHRHTR7HTR1ADRD2HTR1D
SCHEMBL14829372 0.81 HTR7 (0.57) TSHRHTR7HTR1ADRD2HTR1D
SCHEMBL14829143 0.80 HTR7 (0.64) TSHRHTR7HTR1ADRD2HTR1D
SCHEMBL2707126 0.78 TSHR (0.73) TSHRHTR7HTR1ADRD2HTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119633-B2 N-{2-[2-(4-benzyl-4-hydroxy-piperidin-1-yl)-2-oxo-ethoxy]-ethyl}-N-ethyl-4-methoxy-2,3,6-trimethyl-phenylsulfonamide; condensing the N-carboxyalkyl phenylsulfonamide with the substituted piperidine; bradykinin receptor antagonists; analgesics; antidiabetics; angiogenesis inhibitors; rheumatic diseases GRUENENTHAL GMBH (DE) 2012-02-21 US disclosed
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 TSHR 3623/4885HTR7 1720/4885HTR1A 799/4885

“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.