SCHEMBL643833

SCHEMBL643833

CN(C)C(CCc1ccccc1)C1CCC(CNC(=O)C2Cc3ccccc3N2S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 4/20 0.41
CACNA1H O95180 1/20 0.41
MMP9 P14780 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
PTGER3 P43115 1/20 0.38
MTNR1A P48039 2/20 0.37
MTNR1B P49286 2/20 0.37
CYP2C9 P11712 1/20 0.36
CCR10 P46092 1/20 0.36
ACE P12821 1/20 0.35

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
SCHEMBL645419 0.93 BDKRB1 (0.42) BDKRB1MMP9PSEN1PSEN2APH1B
SCHEMBL643253 0.90 BDKRB1 (0.43) BDKRB1MMP9PSEN1PSEN2APH1B
SCHEMBL642869 0.87 CACNA1H (0.42) BDKRB1CACNA1HPSEN1PSEN2APH1B
SCHEMBL2490288 0.82 CACNA1H (0.43) BDKRB1CACNA1HPTGER3
SCHEMBL927220 0.81 BDKRB1 (0.51) BDKRB1MMP9PSEN1PSEN2APH1B
SCHEMBL642962 0.77 BDKRB1 (0.56) BDKRB1MMP9
SCHEMBL644671 0.76 LMNA (0.43) BDKRB1MMP9PTGER3
SCHEMBL642945 0.75 CXCR3 (0.43)
SCHEMBL494439 0.74 HTR7 (0.39) MMP9
SCHEMBL493786 0.74 FKBP1A (0.40) MMP9

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
EP-2150530-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2011-10-26 EP claimed
US-20080312231-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-12-18 US claimed
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
US-20080312231-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-12-18 US 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 BDKRB1 1566/4885CACNA1H 655/4885MMP9 1638/4885

“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.