SCHEMBL2225737

SCHEMBL2225737

O=C(c1ccc2ccccc2n1)N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 5/20 0.61
▸ GBA1 P04062 2/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ GAA P10253 3/20 0.52
▸ HTT P42858 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ TSHR P16473 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ PKM P14618 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ ATM Q13315 1/20 0.48
▸ SCN7A Q01118 1/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47

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
SCHEMBL2225950 0.86 SCN9A (0.62) SCN9AGBA1SMN1; SMN2GAAALDH1A1
SCHEMBL14776958 0.86 GAA (0.69) SCN9ASMN1; SMN2GAAHTTALDH1A1
Hydrochloric Acid SCHEMBL14778183 0.85 SCN9A (0.61) SCN9AGBA1SMN1; SMN2GAAALDH1A1
SCHEMBL2228011 0.85 GAA (0.66) SCN9ASMN1; SMN2GAAALDH1A1L3MBTL1
SCHEMBL1809328 0.84 SMN1; SMN2 (0.50) SCN9ASMN1; SMN2GAAHTTALDH1A1
SCHEMBL14778199 0.84 KMT2A (0.60) SCN9AGBA1SMN1; SMN2GAAHTT
SCHEMBL14777896 0.83 SMN1; SMN2 (0.62) SMN1; SMN2GAAALDH1A1L3MBTL1TSHR
SCHEMBL14777685 0.83 LMNA (0.59) SMN1; SMN2GAAHTTALDH1A1L3MBTL1
SCHEMBL2226015 0.83 TSHR (0.56) SCN9ASMN1; SMN2GAAALDH1A1L3MBTL1
SCHEMBL1945534 0.82 GAA (0.72) SCN9AGBA1SMN1; SMN2GAAALDH1A1

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 SCN9A 224/4885GBA1 1631/4885SMN1; SMN2 561/4885

“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.

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