SCHEMBL2225357

SCHEMBL2225357

Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)ccc2cccnc12

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 3/20 0.50
▸ KMT2A Q03164 1/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ GAA P10253 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ SPR P35270 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ ATM Q13315 1/20 0.46
▸ EGLN1 Q9GZT9 1/20 0.43

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
SCHEMBL2223842 0.88 HSD11B1 (0.53) HSD11B1KMT2AL3MBTL1GAASMN1; SMN2
SCHEMBL2224021 0.88 SCN9A (0.50) HSD11B1KMT2AGAASMN1; SMN2SPR
Hydrochloric Acid SCHEMBL14777588 0.87 HSD11B1 (0.53) HSD11B1KMT2AL3MBTL1GAASMN1; SMN2
SCHEMBL16087303 0.86 HSD11B1 (0.43) HSD11B1KMT2AL3MBTL1GAASMN1; SMN2
SCHEMBL1429869 0.85 KMT2A (0.58) HSD11B1KMT2AL3MBTL1GAASMN1; SMN2
SCHEMBL6881344 0.84 KMT2A (0.47) KMT2AL3MBTL1GAASMN1; SMN2ALDH1A1
SCHEMBL1945700 0.80 HSD11B1 (0.55) HSD11B1KMT2AL3MBTL1GAASPR
SCHEMBL14777731 0.79 KMT2A (0.55) HSD11B1KMT2AL3MBTL1GAASMN1; SMN2
SCHEMBL2226910 0.78 L3MBTL1 (0.58) HSD11B1KMT2AL3MBTL1GAASMN1; SMN2
SCHEMBL1429623 0.78 KMT2A (0.79) HSD11B1KMT2AL3MBTL1GAASMN1; SMN2

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
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 HSD11B1 4817/4885KMT2A 2770/4885L3MBTL1 4004/4885

“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.

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