SCHEMBL644127

SCHEMBL644127

CN1CCN(C(c2ccccc2)C2CCC(NC(=O)CC3C(=O)NCCN3S(=O)(=O)c3ccc(Cl)cc3Cl)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.53
BDKRB1 P46663 9/20 0.51
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 2/20 0.41
CACNA2D1 P54289 1/20 0.41
CACNA1B Q00975 1/20 0.41
CACNB1 Q02641 1/20 0.41
CACNA1C Q13936 1/20 0.41
RECQL P46063 1/20 0.41
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL642993 0.94 BDKRB1 (0.54) HTTBDKRB1CYP3A4CYP2D6CYP2C9
SCHEMBL645135 0.92 HTT (0.51) HTTBDKRB1CYP3A4CYP2D6CYP2C9
SCHEMBL643339 0.84 HTT (0.51) HTTBDKRB1CYP3A4CYP2D6CYP2C9
SCHEMBL642965 0.82 HTT (0.49) HTTBDKRB1CYP3A4CYP2D6CYP2C9
SCHEMBL643302 0.81 BDKRB1 (0.55) HTTBDKRB1CYP3A4CYP2D6CYP2C9
SCHEMBL643334 0.80 BDKRB1 (0.49) HTTBDKRB1CYP3A4CYP2D6CYP2C9
SCHEMBL644080 0.79 HTT (0.55) HTTBDKRB1CYP3A4CYP2D6CYP2C9
SCHEMBL493216 0.76 CACNA2D1 (0.43) BDKRB1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL644293 0.74 HTT (0.74) HTTBDKRB1CYP3A4CYP2D6CYP2C9
SCHEMBL643928 0.74 BDKRB1 (0.59) BDKRB1ALDH1A1POLB

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 HTT 1796/4885BDKRB1 1566/4885CYP3A4 351/4885

“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.