SCHEMBL644329

SCHEMBL644329

CN(CCCCC(=O)NC1CCC(C(c2ccccc2)N2CCCCC2)CC1)S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.37
CACNA1B Q00975 2/20 0.37
CACNB1 Q02641 2/20 0.37
CACNA1C Q13936 2/20 0.37
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
EPHX1 P07099 1/20 0.36
BDKRB1 P46663 1/20 0.36
ALDH1A1 P00352 3/20 0.36
ICMT O60725 1/20 0.36
ALB P02768 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
TSHR P16473 1/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 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
SCHEMBL2492763 0.90 CACNA2D1 (0.38) CACNA2D1CACNA1BCACNB1CACNA1CCNR1
SCHEMBL492596 0.88 ALDH1A1 (0.37) CACNA2D1CACNA1BCACNB1CACNA1CCNR1
SCHEMBL492975 0.87 CACNA2D1 (0.37) CACNA2D1CACNA1BCACNB1CACNA1CCNR1
SCHEMBL643276 0.85 BCHE (0.38) EPHX1BDKRB1ALDH1A1ICMTALB
SCHEMBL646485 0.85 BCHE (0.40) CNR1CNR2EPHX1BDKRB1ALDH1A1
SCHEMBL493117 0.81 CACNA2D1 (0.42) CACNA2D1CACNA1BCACNB1CACNA1CBDKRB1
SCHEMBL493013 0.80 MEN1 (0.37) CACNA2D1CACNA1BCACNB1CACNA1CCNR2
SCHEMBL492867 0.80 BDKRB1 (0.39) CACNA2D1CACNA1BCACNB1CACNA1CCNR1
SCHEMBL492976 0.80 ALDH1A1 (0.37) CACNA2D1CACNA1BCACNB1CACNA1CCNR1
SCHEMBL493360 0.79 LMNA (0.39) BDKRB1ALDH1A1LMNASMN1; SMN2

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 3 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
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 CACNA2D1 1158/4885CACNA1B 279/4885CACNB1 858/4885

“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.