SCHEMBL2224360

SCHEMBL2224360

O=C(c1ccc2ccccc2n1)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.59
GAA P10253 3/20 0.59
LMNA P02545 4/20 0.56
CNR1 P21554 1/20 0.55
CNR2 P34972 1/20 0.55
HTT P42858 2/20 0.54
SMN1; SMN2 Q16637 4/20 0.53
MAPT P10636 3/20 0.53
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
GBA1 P04062 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50

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 0.89 SCN9A (0.62) SCN9AGAALMNASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL14778183 0.88 SCN9A (0.61) SCN9AGAALMNASMN1; SMN2ALDH1A1
SCHEMBL2226299 0.86 USP2 (0.58) SCN9AGAALMNAHTTSMN1; SMN2
SCHEMBL2224464 0.84 ALDH1A1 (0.59) GAALMNAHTTSMN1; SMN2MAPT
SCHEMBL14777196 0.84 RAB9A (0.54) SCN9AGAACNR2SMN1; SMN2ALDH1A1
SCHEMBL14777918 0.84 SMN1; SMN2 (0.53) SCN9AGAALMNAHTTSMN1; SMN2
SCHEMBL3128835 0.83 CACNA1B (0.61) SCN9ACNR2TSHR
SCHEMBL14777545 0.82 SMN1; SMN2 (0.57) SCN9AGAALMNAHTTSMN1; SMN2
SCHEMBL1947656 0.82 GAA (0.66) GAALMNACNR1HTTSMN1; SMN2
SCHEMBL14777157 0.81 SMN1; SMN2 (0.60) GAALMNAHTTSMN1; SMN2MAPT

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 224/4885GAA 3715/4885LMNA 2413/4885

“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.