SCHEMBL2227093

SCHEMBL2227093

Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)C[C@@H]2C)ccc2cccnc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.45
GAA P10253 1/20 0.45
FABP1 P07148 1/20 0.42
HSD11B1 P28845 2/20 0.41
EGLN1 Q9GZT9 1/20 0.39
GLO1 Q04760 1/20 0.39
GPR6 P46095 1/20 0.39
MEN1 O00255 1/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 3/20 0.37
HTT P42858 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CCR6 P51684 2/20 0.37
CYP19A1 P11511 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL16087303 0.90 HSD11B1 (0.43) L3MBTL1GAAFABP1HSD11B1GPR6
SCHEMBL2223375 0.88 FABP1 (0.42) GAAFABP1EGLN1ALDH1A1HTT
SCHEMBL6881181 0.84 KMT2A (0.39) L3MBTL1GAAMEN1PKMKMT2A
SCHEMBL2226502 0.82 GAA (0.45) L3MBTL1GAAFABP1HSD11B1GPR6
Hydrochloric Acid SCHEMBL16087188 0.81 GAA (0.45) L3MBTL1GAAFABP1HSD11B1GPR6
SCHEMBL1947917 0.80 GAA (0.51) L3MBTL1GAAHSD11B1MEN1PKM
SCHEMBL2224696 0.80 FABP1 (0.45) GAAFABP1ALDH1A1HTTLMNA
SCHEMBL6879902 0.79 HCRTR2 (0.45) GAAFABP1ALDH1A1HTTLMNA
SCHEMBL2226288 0.78 CNR1 (0.42) L3MBTL1GAAHSD11B1GPR6CCR6
Hydrochloric Acid SCHEMBL16087388 0.78 CNR1 (0.42) L3MBTL1GAAGPR6ALDH1A1LMNA

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 9 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
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

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 L3MBTL1 4004/4885GAA 3715/4885FABP1 1990/4885

“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.