SCHEMBL2226299

SCHEMBL2226299

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

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
ALDH1A1 P00352 4/20 0.56
HTT P42858 2/20 0.56
KDM4E B2RXH2 1/20 0.56
HPGD P15428 1/20 0.56
MAPT P10636 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
LMNA P02545 3/20 0.55
GAA P10253 1/20 0.54
RAB9A P51151 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
SCN9A Q15858 1/20 0.52
POLB P06746 1/20 0.52
PKM P14618 1/20 0.52

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
SCHEMBL2228011 0.88 GAA (0.66) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL2224464 0.87 ALDH1A1 (0.59) MEN1KMT2AALDH1A1HTTMAPT
SCHEMBL14777545 0.87 SMN1; SMN2 (0.57) MEN1KMT2AALDH1A1HTTMAPT
SCHEMBL2224360 0.86 SCN9A (0.59) MEN1KMT2AALDH1A1HTTMAPT
SCHEMBL14777157 0.83 SMN1; SMN2 (0.60) MEN1KMT2AALDH1A1HTTMAPT
SCHEMBL14777004 0.83 LMNA (0.60) MEN1KMT2AALDH1A1HTTMAPT
SCHEMBL14778219 0.82 SMN1; SMN2 (0.67) MEN1KMT2AALDH1A1HTTMAPT
SCHEMBL14777896 0.81 SMN1; SMN2 (0.62) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL14777088 0.81 TDP1 (0.65) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL2226015 0.81 TSHR (0.56) MEN1KMT2AALDH1A1MAPTSMN1; SMN2

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 USP2 2057/4885MEN1 3613/4885KMT2A 2770/4885

“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.