SCHEMBL2222236

SCHEMBL2222236

O=C(c1cccc2cccnc12)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
KMT2A Q03164 3/20 0.53
GAA P10253 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
USP2 O75604 1/20 0.48
ALOX15 P16050 1/20 0.48
OPRK1 P41145 1/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ATM Q13315 1/20 0.47
GPR183 P32249 1/20 0.46

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
SCHEMBL2226972 0.89 PKM (0.54) PKMRXFP1KMT2AGAASMN1; SMN2
SCHEMBL14777731 0.89 KMT2A (0.55) KMT2AGAASMN1; SMN2ALDH1A1MAPT
SCHEMBL2226775 0.89 GAA (0.64) PKMKMT2AGAASMN1; SMN2ALDH1A1
SCHEMBL2223842 0.86 HSD11B1 (0.53) KMT2AGAASMN1; SMN2ALDH1A1MAPT
SCHEMBL2228776 0.86 GAA (0.56) KMT2AGAASMN1; SMN2ALDH1A1USP2
Hydrochloric Acid SCHEMBL14777588 0.85 HSD11B1 (0.53) KMT2AGAASMN1; SMN2ALDH1A1MAPT
SCHEMBL2224619 0.83 SCN9A (0.55) KMT2AGAASMN1; SMN2ALDH1A1MEN1
SCHEMBL14777810 0.81 HCRTR1 (0.53) KMT2AGAASMN1; SMN2ALDH1A1HTT
SCHEMBL14777533 0.80 KMT2A (0.58) KMT2AGAASMN1; SMN2ALDH1A1MAPT
SCHEMBL2225804 0.80 MAPT (0.56) PKMKMT2AGAASMN1; SMN2ALDH1A1

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 PKM 2945/4885RXFP1 2614/4885KMT2A 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.