SCHEMBL2226502

SCHEMBL2226502

C[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)CCN1C(=O)c1ccc2cccnc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HSD11B1 P28845 2/20 0.42
PDK2 Q15119 3/20 0.41
PDK1 Q15118 2/20 0.41
PDK3 Q15120 2/20 0.41
PDK4 Q16654 2/20 0.41
TGM2 P21980 1/20 0.41
CHRNA7 P36544 2/20 0.40
GPR6 P46095 1/20 0.39
GBA1 P04062 1/20 0.39
MAPT P10636 1/20 0.39
GHSR Q92847 1/20 0.38
CHRM1 P11229 1/20 0.38
MEN1 O00255 1/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38
CCNE1 P24864 2/20 0.38
CDK2 P24941 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
Hydrochloric Acid SCHEMBL16087188 0.99 GAA (0.45) GAAL3MBTL1HSD11B1PDK2PDK1
SCHEMBL2227483 0.88 EGLN1 (0.42) GAAPDK2PDK1PDK3PDK4
SCHEMBL6879904 0.88 CHRNA7 (0.39) L3MBTL1PDK2PDK1PDK3PDK4
Hydrochloric Acid SCHEMBL16087367 0.88 EGLN1 (0.42) GAAPDK2PDK1PDK3PDK4
SCHEMBL2222986 0.86 KMT2A (0.45) GAATGM2CHRNA7GHSRCHRM1
SCHEMBL2226130 0.86 ACACA (0.46) L3MBTL1HSD11B1TGM2CHRNA7GHSR
SCHEMBL2226330 0.84 KMT2A (0.40) GAATGM2CHRNA7GHSRCHRM1
SCHEMBL2226510 0.84 GHSR (0.47) HSD11B1TGM2CHRNA7GBA1GHSR
SCHEMBL2224298 0.83 JAK2 (0.44) GAAL3MBTL1PDK2PDK1PDK3
SCHEMBL1945084 0.83 L3MBTL1 (0.44) GAAL3MBTL1HSD11B1PDK2PDK1

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
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
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 GAA 3715/4885L3MBTL1 4004/4885HSD11B1 4817/4885

“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.