SCHEMBL14778164

SCHEMBL14778164

O=C(c1cccc2ncccc12)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKLR P30613 2/20 0.51
▸ PKM P14618 1/20 0.51
▸ POLB P06746 1/20 0.49
▸ KDM4E B2RXH2 3/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ TSHR P16473 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ FNTA P49354 1/20 0.45
▸ FNTB P49356 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ THPO P40225 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ RORC P51449 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ LMNA P02545 1/20 0.44

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
SCHEMBL2225781 0.81 HSD11B1 (0.53) PKMKDM4EKMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL14778505 0.80 HSD11B1 (0.52) PKMKDM4EKMT2AMEN1ALDH1A1
SCHEMBL30080582 0.77 PKM (0.60) PKLRPKMPOLBKDM4EKMT2A
SCHEMBL17800942 0.72 PKM (0.74) PKLRPKMPOLBALDH1A1HTT
SCHEMBL2239830 0.71 PKM (1.00) PKLRPKMPOLB
SCHEMBL30080386 0.71 PKM (0.72) PKLRPKMPOLBALDH1A1HTT
SCHEMBL28919016 0.71 PKLR (0.65) PKLRPKMPOLBKMT2AMEN1
SCHEMBL16002957 0.70 CHRM2 (0.52) FNTAFNTB
SCHEMBL17953078 0.70 KMT2A (0.51) KDM4EKMT2ATSHRALDH1A1HTT
SCHEMBL14777810 0.70 HCRTR1 (0.53) KDM4EKMT2AALDH1A1HTTL3MBTL1

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 4 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 claimed
US-8697703-B2 Piperazine derivatives for blocking Cav2.2 calcium channels Convergence Pharmaceuticals Limited (GB) 2014-04-15 — — US claimed
US-20130072499-A1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS Convergence Pharmaceuticals Limited 2013-03-21 — — US claimed
EP-2533782-B1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS CONVERGENCE PHARMACEUTICALS (GB) 2014-09-24 — — EP 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 PKLR 2609/4885PKM 2945/4885POLB 3785/4885

“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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