Sugi Predict

Sugi Predict / Compounds / SCHEMBL2222986

SCHEMBL2222986

SCHEMBL2222986

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ PKM P14618 2/20 0.45
▸ TGM2 P21980 1/20 0.41
▸ ADAM17 P78536 3/20 0.40
▸ CHRNA7 P36544 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA4 P22748 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ ATM Q13315 1/20 0.38
▸ GHSR Q92847 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37

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
SCHEMBL2226330 0.89 KMT2A (0.40) KMT2AMEN1PKMTGM2ADAM17
SCHEMBL2226510 0.89 GHSR (0.47) KMT2AMEN1PKMTGM2CHRNA7
SCHEMBL2226486 0.89 EPHX2 (0.39) PKMCHRNA7SMN1; SMN2GAAGHSR
SCHEMBL2226502 0.86 GAA (0.45) KMT2AMEN1PKMTGM2CHRNA7
SCHEMBL2226130 0.86 ACACA (0.46) TGM2CHRNA7GHSRCHRM1
Hydrochloric Acid SCHEMBL16087188 0.85 GAA (0.45) KMT2AMEN1PKMTGM2CHRNA7
SCHEMBL2227249 0.83 KMT2A (0.46) KMT2AMEN1PKMADAM17SMN1; SMN2
SCHEMBL6879904 0.78 CHRNA7 (0.39) CHRNA7GHSRCCNE1CDK2
SCHEMBL14777464 0.78 KMT2A (0.45) KMT2AMEN1PKMADAM17SMN1; SMN2
SCHEMBL2227483 0.77 EGLN1 (0.42) CHRNA7GAAGHSRCCNE1CDK2

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 8 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 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 KMT2A 2770/4885MEN1 3613/4885PKM 2945/4885

“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.