SCHEMBL2226486

SCHEMBL2226486

Cc1cc(OCF)ccc1S(=O)(=O)N1CCN(C(=O)c2ccc3cccnc3c2)[C@@H](C)C1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.39
SCN5A Q14524 1/20 0.37
SCN9A Q15858 1/20 0.37
CHRNA7 P36544 2/20 0.37
GAA P10253 2/20 0.37
NPC1 O15118 1/20 0.37
CNR1 P21554 3/20 0.37
CNR2 P34972 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GHSR Q92847 1/20 0.36
PDE2A O00408 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
PKM P14618 1/20 0.35
PKLR P30613 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL2222986 0.89 KMT2A (0.45) CHRNA7GAAALDH1A1GHSRSMN1; SMN2
SCHEMBL2225818 0.85 EPHX2 (0.43) EPHX2GAAALDH1A1SMN1; SMN2MAPK1
SCHEMBL2227483 0.84 EGLN1 (0.42) EPHX2CHRNA7GAACNR1CNR2
Hydrochloric Acid SCHEMBL16087367 0.83 EGLN1 (0.42) EPHX2CHRNA7GAACNR1CNR2
SCHEMBL2226510 0.80 GHSR (0.47) SCN9ACHRNA7GHSRSMN1; SMN2HTT
SCHEMBL2226330 0.80 KMT2A (0.40) CHRNA7GAAGHSRSMN1; SMN2PKM
SCHEMBL6879904 0.77 CHRNA7 (0.39) CHRNA7GHSRPDE2AHTT
SCHEMBL2226130 0.77 ACACA (0.46) CHRNA7GHSR
SCHEMBL2226502 0.75 GAA (0.45) CHRNA7GAAGHSRSMN1; SMN2PKM
Hydrochloric Acid SCHEMBL16087188 0.74 GAA (0.45) CHRNA7GAAGHSRSMN1; SMN2PKM

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8697703-B2 Piperazine derivatives for blocking Cav2.2 calcium channels Convergence Pharmaceuticals Limited (GB) 2014-04-15 US claimed
EP-2533782-B1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS CONVERGENCE PHARMACEUTICALS (GB) 2014-09-24 EP disclosed
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
US-20130072499-A1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS Convergence Pharmaceuticals Limited 2013-03-21 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 EPHX2 3815/4885SCN5A 76/4885SCN9A 224/4885

“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.