SCHEMBL2228776

SCHEMBL2228776

N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc4cccnc34)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
FABP1 P07148 1/20 0.54
KMT2A Q03164 2/20 0.50
SCN9A Q15858 2/20 0.50
HSD11B1 P28845 1/20 0.50
GLO1 Q04760 1/20 0.48
TNFSF11 O14788 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 2/20 0.46
PKLR P30613 1/20 0.46
USP2 O75604 1/20 0.46
ALOX15 P16050 1/20 0.46
OPRK1 P41145 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 1/20 0.46
KDM4E B2RXH2 1/20 0.46
SPR P35270 1/20 0.46

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
SCHEMBL2222236 0.86 PKM (0.53) GAAL3MBTL1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL14777731 0.86 KMT2A (0.55) GAAL3MBTL1KMT2AHSD11B1SMN1; SMN2
SCHEMBL2226775 0.86 GAA (0.64) GAAL3MBTL1FABP1KMT2ASMN1; SMN2
SCHEMBL1429757 0.83 HSD11B1 (0.60) GAAL3MBTL1KMT2ASCN9AHSD11B1
SCHEMBL2223842 0.83 HSD11B1 (0.53) GAAL3MBTL1KMT2AHSD11B1SMN1; SMN2
Hydrochloric Acid SCHEMBL14777588 0.82 HSD11B1 (0.53) GAAL3MBTL1KMT2AHSD11B1SMN1; SMN2
SCHEMBL2224619 0.81 SCN9A (0.55) GAAKMT2ASCN9ASMN1; SMN2ALDH1A1
SCHEMBL2226972 0.80 PKM (0.54) GAAKMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL16087362 0.80 L3MBTL1 (0.54) GAAL3MBTL1KMT2ASCN9AHSD11B1
SCHEMBL14777810 0.78 HCRTR1 (0.53) GAAL3MBTL1KMT2ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2533782-B1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS CONVERGENCE PHARMACEUTICALS (GB) 2014-09-24 EP claimed
US-8697703-B2 Piperazine derivatives for blocking Cav2.2 calcium channels Convergence Pharmaceuticals Limited (GB) 2014-04-15 US claimed
US-20130072499-A1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS Convergence Pharmaceuticals Limited 2013-03-21 US claimed
EP-2533782-A1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS Convergence Pharmaceuticals Limited (GB) 2012-12-19 EP claimed
WO-2011086377-A1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS Convergence Pharmaceuticals Limited (GB) 2011-07-21 WO claimed
EP-2533782-B1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS CONVERGENCE PHARMACEUTICALS (GB) 2014-09-24 EP disclosed
US-8697703-B2 Piperazine derivatives for blocking Cav2.2 calcium channels Convergence Pharmaceuticals Limited (GB) 2014-04-15 US disclosed
US-20130072499-A1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS Convergence Pharmaceuticals Limited 2013-03-21 US disclosed
EP-2533782-A1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS Convergence Pharmaceuticals Limited (GB) 2012-12-19 EP disclosed
WO-2011086377-A1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS Convergence Pharmaceuticals Limited (GB) 2011-07-21 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-20130072499-A1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS CACNA1B, CACNB2, CACNA1C GAA 3715/4885L3MBTL1 4004/4885FABP1 1990/4885

“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.