SCHEMBL4282334

SCHEMBL4282334

CC(C)CC(C(=O)N1CCC(NS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
CACNA1B Q00975 4/20 0.45
TGFBR1 P36897 1/20 0.45
HTR1A P08908 1/20 0.43
HTR7 P34969 1/20 0.43
SFRP1 Q8N474 8/20 0.43
WNT3 P56703 3/20 0.43
HDAC8 Q9BY41 1/20 0.42
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
STS P08842 1/20 0.40
NR1I2 O75469 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
SCHEMBL14997376 1.00 DRD2 (0.46) DRD2ADRA1DADRA1AADRA1BCACNA1B
SCHEMBL4286631 0.86 CACNA1B (0.56) CACNA1BNR1I2
SCHEMBL8268668 0.85 CACNA1B (0.46) DRD2ADRA1DADRA1AADRA1BCACNA1B
SCHEMBL13880081 0.85 CACNA1B (0.47) DRD2ADRA1DADRA1AADRA1BCACNA1B
SCHEMBL8268664 0.81 CACNA1B (0.53) DRD2ADRA1DADRA1AADRA1BCACNA1B
SCHEMBL4281416 0.80 STS (0.60) DRD2ADRA1DADRA1AADRA1BTGFBR1
SCHEMBL5503404 0.80 SFRP1 (0.45) DRD2ADRA1DADRA1AADRA1BCACNA1B
Fumaric Acid SCHEMBL4287224 0.76 CACNA1B (0.49) DRD2ADRA1DADRA1AADRA1BCACNA1B
Fumaric Acid SCHEMBL4287220 0.76 CACNA1B (0.49) DRD2ADRA1DADRA1AADRA1BCACNA1B
SCHEMBL16497731 0.74 CACNA1B (0.80) CACNA1BGAAHPGD

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-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 DRD2 347/4885ADRA1D 263/4885ADRA1A 411/4885

“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.