SCHEMBL6881344

SCHEMBL6881344

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

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ GAA P10253 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.45
▸ HTT P42858 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ LMNA P02545 2/20 0.43
▸ PKM P14618 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL2224021 0.87 SCN9A (0.50) KMT2ASMN1; SMN2GAAALDH1A1HTT
SCHEMBL6881181 0.86 KMT2A (0.39) KMT2ASMN1; SMN2GAAALDH1A1HTT
SCHEMBL2225357 0.84 HSD11B1 (0.50) KMT2ASMN1; SMN2GAAALDH1A1ATM
SCHEMBL6878584 0.81 KMT2A (0.46) KMT2ASMN1; SMN2GAAALDH1A1HTT
SCHEMBL14777731 0.76 KMT2A (0.55) KMT2ASMN1; SMN2GAAALDH1A1HTT
SCHEMBL6878579 0.76 KMT2A (0.41) KMT2ASMN1; SMN2GAAALDH1A1HTT
SCHEMBL2835516 0.76 KMT2A (0.56) KMT2ASMN1; SMN2GAAALDH1A1HTT
SCHEMBL2224619 0.76 SCN9A (0.55) KMT2ASMN1; SMN2GAAALDH1A1ATM
SCHEMBL2226775 0.74 GAA (0.64) KMT2ASMN1; SMN2GAAALDH1A1LMNA
SCHEMBL2222236 0.72 PKM (0.53) KMT2ASMN1; SMN2GAAALDH1A1HTT

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 2770/4885SMN1; SMN2 561/4885GAA 3715/4885

“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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