SCHEMBL1945685

SCHEMBL1945685

O=C(c1ccccn1)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.77
SMN1; SMN2 Q16637 1/20 0.67
L3MBTL1 Q9Y468 4/20 0.60
HTT P42858 1/20 0.60
HSD11B1 P28845 1/20 0.56
GRM4 Q14833 2/20 0.53
LMNA P02545 1/20 0.52
SCN9A Q15858 1/20 0.51
ALDH1A1 P00352 3/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.49
TLR7 Q9NYK1 1/20 0.49
EPHX2 P34913 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL754340 0.88 GAA (0.73) GAASMN1; SMN2L3MBTL1HSD11B1GRM4
SCHEMBL1947656 0.88 GAA (0.66) GAASMN1; SMN2L3MBTL1HTTHSD11B1
SCHEMBL1946064 0.88 GAA (0.60) GAASMN1; SMN2L3MBTL1HTTHSD11B1
SCHEMBL1948243 0.88 GAA (0.60) GAASMN1; SMN2L3MBTL1HTTHSD11B1
SCHEMBL1945534 0.85 GAA (0.72) GAASMN1; SMN2L3MBTL1LMNASCN9A
SCHEMBL1946162 0.84 GAA (0.78) GAASMN1; SMN2L3MBTL1GRM4LMNA
SCHEMBL12761000 0.84 GAA (0.78) GAASMN1; SMN2L3MBTL1LMNAALDH1A1
SCHEMBL1945701 0.84 LMNA (0.67) GAASMN1; SMN2L3MBTL1HSD11B1GRM4
SCHEMBL1948321 0.83 L3MBTL1 (0.56) GAASMN1; SMN2L3MBTL1HTTHSD11B1
SCHEMBL1945728 0.83 L3MBTL1 (0.56) GAASMN1; SMN2L3MBTL1HSD11B1LMNA

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-2346828-B1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS CONVERGENCE PHARMACEUTICALS (GB) 2012-10-03 EP claimed
JP-2011528019-A 2011-11-10 JP claimed
EP-2346828-A1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS Convergence Pharmaceuticals Limited (GB) 2011-07-27 EP claimed
US-20110130379-A1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS Convergence Pharmaceuticals Limited (GB) 2011-06-02 US claimed
WO-2010007072-A1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS GLAXO GROUP LIMITED (GB) 2010-01-21 WO claimed
US-8530478-B2 Piperazine derivatives used as CAV2.2 calcium channel modulators Convergence Pharmaceuticals Limited (GB) 2013-09-10 US disclosed
EP-2346828-B1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS CONVERGENCE PHARMACEUTICALS (GB) 2012-10-03 EP disclosed
EP-2346828-A1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS Convergence Pharmaceuticals Limited (GB) 2011-07-27 EP disclosed
US-20110130379-A1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS Convergence Pharmaceuticals Limited (GB) 2011-06-02 US disclosed
WO-2010007072-A1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS GLAXO GROUP LIMITED (GB) 2010-01-21 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-20110130379-A1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS CACNA1B, CACNA1C, CACNB2 GAA 3695/4885SMN1; SMN2 898/4885L3MBTL1 4629/4885

“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.