SCHEMBL2227150

SCHEMBL2227150

O=C(c1nccc2ccccc12)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.54
L3MBTL1 Q9Y468 3/20 0.52
GAA P10253 6/20 0.49
ATM Q13315 1/20 0.49
LMNA P02545 2/20 0.48
GBA1 P04062 2/20 0.48
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD11B1 P28845 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
SCN9A Q15858 1/20 0.45
SYK P43405 1/20 0.45

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
Hydrochloric Acid SCHEMBL14777768 0.99 CNR2 (0.53) CNR2L3MBTL1GAAATMLMNA
SCHEMBL1945700 0.81 HSD11B1 (0.55) L3MBTL1GAAMEN1ALDH1A1KMT2A
SCHEMBL2223612 0.80 L3MBTL1 (0.55) L3MBTL1ATMLMNAMEN1ALDH1A1
SCHEMBL1945685 0.79 GAA (0.77) L3MBTL1GAALMNAALDH1A1MAPT
SCHEMBL2223362 0.79 L3MBTL1 (0.52) L3MBTL1ATMLMNAGBA1MEN1
Hydrochloric Acid SCHEMBL14777693 0.79 L3MBTL1 (0.54) L3MBTL1ATMLMNAMEN1ALDH1A1
Hydrochloric Acid SCHEMBL14777336 0.78 L3MBTL1 (0.51) L3MBTL1GAAATMLMNAGBA1
SCHEMBL2224443 0.78 ALDH1A1 (0.59) L3MBTL1GAAATMLMNAUSP2
SCHEMBL1945511 0.77 L3MBTL1 (0.81) L3MBTL1ATMLMNAMEN1ALDH1A1
Hydrochloric Acid SCHEMBL14777228 0.77 ALDH1A1 (0.58) L3MBTL1GAAATMLMNAUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8697703-B2 Piperazine derivatives for blocking Cav2.2 calcium channels Convergence Pharmaceuticals Limited (GB) 2014-04-15 US 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
US-20130072499-A1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS Convergence Pharmaceuticals Limited 2013-03-21 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
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 CNR2 135/4885L3MBTL1 4004/4885GAA 3715/4885

“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.