SCHEMBL6878584

SCHEMBL6878584

Cc1nccc2cccc(C(=O)N3CCN(S(=O)(=O)c4ccc(OC(F)F)cc4)CC3)c12

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ GAA P10253 3/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HTT P42858 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
SCHEMBL6879191 0.87 SCN9A (0.53) KMT2AALDH1A1LMNAMEN1KDM4E
SCHEMBL6881351 0.86 MEN1 (0.40) KMT2AALDH1A1LMNAMEN1SMN1; SMN2
SCHEMBL6881344 0.81 KMT2A (0.47) KMT2AALDH1A1LMNAGAASMN1; SMN2
SCHEMBL2835516 0.75 KMT2A (0.56) KMT2AALDH1A1LMNAMEN1GAA
SCHEMBL14777464 0.74 KMT2A (0.45) KMT2AMEN1GAASMN1; SMN2
SCHEMBL6881347 0.73 GAA (0.42) KMT2AALDH1A1LMNAMEN1KDM4E
SCHEMBL22032764 0.73 ALDH1A1 (0.54) KMT2AALDH1A1LMNAMEN1SMN1; SMN2
SCHEMBL6878579 0.71 KMT2A (0.41) KMT2AALDH1A1MEN1GAASMN1; SMN2
SCHEMBL14777731 0.71 KMT2A (0.55) KMT2AALDH1A1LMNAMEN1KDM4E
SCHEMBL2224619 0.70 SCN9A (0.55) KMT2AALDH1A1MEN1KDM4EGAA

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 KMT2A 2770/4885ALDH1A1 3958/4885LMNA 2413/4885

“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.

Send feedback