SCHEMBL2226015

SCHEMBL2226015

O=C(c1ccc2ccccc2n1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
MAPK1 P28482 1/20 0.56
RAB9A P51151 1/20 0.56
GAA P10253 4/20 0.55
ALDH1A1 P00352 4/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
LMNA P02545 1/20 0.52
PKM P14618 1/20 0.52
ATM Q13315 1/20 0.51
MAPT P10636 2/20 0.50
MITF O75030 1/20 0.50
POLB P06746 1/20 0.50
RECQL P46063 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
GRIN2B Q13224 1/20 0.49
SCN9A Q15858 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL14777896 0.88 SMN1; SMN2 (0.62) TSHRSMN1; SMN2MAPK1RAB9AGAA
SCHEMBL2228011 0.88 GAA (0.66) TSHRSMN1; SMN2MAPK1RAB9AGAA
SCHEMBL14777685 0.88 LMNA (0.59) TSHRSMN1; SMN2MAPK1RAB9AGAA
SCHEMBL14776958 0.85 GAA (0.69) TSHRSMN1; SMN2MAPK1RAB9AGAA
SCHEMBL14777927 0.85 HSD11B1 (0.53) TSHRSMN1; SMN2MAPK1RAB9AGAA
SCHEMBL2225950 0.85 SCN9A (0.62) TSHRSMN1; SMN2MAPK1RAB9AGAA
Hydrochloric Acid SCHEMBL14778183 0.84 SCN9A (0.61) TSHRSMN1; SMN2MAPK1RAB9AGAA
SCHEMBL14777157 0.84 SMN1; SMN2 (0.60) TSHRSMN1; SMN2MAPK1RAB9AGAA
SCHEMBL14777902 0.84 SMN1; SMN2 (0.56) TSHRSMN1; SMN2MAPK1RAB9AGAA
SCHEMBL14777545 0.83 SMN1; SMN2 (0.57) TSHRSMN1; SMN2MAPK1RAB9AGAA

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 TSHR 4231/4885SMN1; SMN2 561/4885MAPK1 3647/4885

“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.