SCHEMBL4292901

SCHEMBL4292901

CN[C@@H](CC(C)C)C(=O)N1CCC(N(C2CC2)S(=O)(=O)c2cccc(OC)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 12/20 0.46
NR1I2 O75469 3/20 0.43
F10 P00742 4/20 0.42
ST14 Q9Y5Y6 4/20 0.42
F2 P00734 2/20 0.42
PLG P00747 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
PLAU P00749 1/20 0.41
TMPRSS2 O15393 1/20 0.41
TMPRSS6 Q8IU80 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
RORC P51449 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 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
SCHEMBL4279299 1.00 CACNA1B (0.46) CACNA1BNR1I2F10ST14F2
SCHEMBL4279499 0.91 CACNA1B (0.47) CACNA1BNR1I2RORC
SCHEMBL4277650 0.91 CACNA1B (0.47) CACNA1BNR1I2RORC
SCHEMBL4284293 0.88 CCKBR (0.45) CACNA1BNR1I2
SCHEMBL4278741 0.88 CCKBR (0.45) CACNA1BNR1I2
SCHEMBL4285271 0.87 HTR2A (0.45) CACNA1BNR1I2F10ST14F2
SCHEMBL4277967 0.87 HTR2A (0.45) CACNA1BNR1I2F10ST14F2
SCHEMBL4277960 0.87 CACNA1B (0.48) CACNA1BNR1I2F10ST14TMPRSS6
SCHEMBL4277963 0.87 CACNA1B (0.48) CACNA1BNR1I2F10ST14TMPRSS6
SCHEMBL4277799 0.85 CACNA1B (0.60) CACNA1BNR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9000174-B2 4-phenylsulfonamidopiperidines as calcium channel blockers PURDUE PHARMA L.P. (US) 2015-04-07 US claimed
EP-1814851-B1 4-PHENYLSULFONAMIDOPIPERIDINES AS CALCIUM CHANNEL BLOCKERS EURO CELTIQUE SA (LU) 2013-06-05 EP claimed
US-20090105249-A1 4-phenylsulfonamidopiperidines as calcium channel blockers EURO-CELTIQUE S.A. (LU) 2009-04-23 US claimed
JP-2008516917-A 2008-05-22 JP claimed
EP-1814851-A2 4-PHENYLSULFONAMIDOPIPERIDINES AS CALCIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2007-08-08 EP claimed
WO-2006040181-A2 4-PHENYLSULFONAMIDOPIPERIDINES AS CALCIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2006-04-20 WO claimed
US-9000174-B2 4-phenylsulfonamidopiperidines as calcium channel blockers PURDUE PHARMA L.P. (US) 2015-04-07 US disclosed
EP-1814851-B1 4-PHENYLSULFONAMIDOPIPERIDINES AS CALCIUM CHANNEL BLOCKERS EURO CELTIQUE SA (LU) 2013-06-05 EP disclosed
US-20090105249-A1 4-phenylsulfonamidopiperidines as calcium channel blockers EURO-CELTIQUE S.A. (LU) 2009-04-23 US disclosed
EP-1814851-A2 4-PHENYLSULFONAMIDOPIPERIDINES AS CALCIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2007-08-08 EP disclosed
WO-2006040181-A2 4-PHENYLSULFONAMIDOPIPERIDINES AS CALCIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2006-04-20 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-20090105249-A1 4-phenylsulfonamidopiperidines as calcium channel blockers CACNA1A, CACNA1E, CACNA1B CACNA1B 3/4885NR1I2 1898/4885F10 1590/4885

“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.