SCHEMBL6881351

SCHEMBL6881351

Cc1nccc2cccc(C(=O)N3CCN(S(=O)(=O)c4ccc(OC(F)F)cc4)C[C@@H]3C)c12

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PTGDR Q13258 4/20 0.37
▸ HCRTR1 O43613 4/20 0.37
▸ HCRTR2 O43614 4/20 0.37
▸ PTGDR2 Q9Y5Y4 4/20 0.36
▸ CNR1 P21554 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TSHR P16473 1/20 0.34

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
SCHEMBL14777464 0.89 KMT2A (0.45) MEN1PKMKMT2AHCRTR1HCRTR2
SCHEMBL6878579 0.86 KMT2A (0.41) MEN1PKMKMT2APTGDRHCRTR1
SCHEMBL6878584 0.86 KMT2A (0.46) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL6881181 0.83 KMT2A (0.39) MEN1PKMKMT2APTGDRHCRTR1
SCHEMBL2226330 0.78 KMT2A (0.40) MEN1PKMKMT2APTGDRPTGDR2
SCHEMBL1429957 0.77 KMT2A (0.44) MEN1PKMKMT2APTGDRPTGDR2
SCHEMBL6879195 0.76 HCRTR2 (0.38) HCRTR1HCRTR2CNR1
SCHEMBL2833646 0.76 MEN1 (0.45) MEN1PKMKMT2ALMNASMN1; SMN2
SCHEMBL2833162 0.76 MEN1 (0.45) MEN1PKMKMT2ALMNASMN1; SMN2
SCHEMBL2227249 0.75 KMT2A (0.46) MEN1PKMKMT2AHCRTR1HCRTR2

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

“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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