SCHEMBL6742584

SCHEMBL6742584

CS(=O)(=O)NC(COc1ccc(C#N)cc1)CN1CC2CNCC(C2)C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.44
HRH2 P25021 2/20 0.43
HRH1 P35367 2/20 0.43
HRH3 Q9Y5N1 2/20 0.43
GRIN1 Q05586 3/20 0.36
GRIN2B Q13224 3/20 0.36
ALDH1A1 P00352 3/20 0.35
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
KDM4E B2RXH2 2/20 0.34
PGR P06401 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GRIA2 P42262 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
SCHEMBL6732773 0.86 KCNH2 (0.42) KCNH2HRH2HRH1HRH3GRIN1
SCHEMBL6738290 0.85 THRB (0.43) KCNH2HRH3MEN1KMT2AHSD17B10
SCHEMBL7480893 0.80 HRH3 (0.39) KCNH2HRH2HRH1HRH3GRIN1
SCHEMBL6738943 0.79 KDM4E (0.55) KCNH2HRH2HRH1HRH3GRIN1
SCHEMBL6623120 0.79 KDM4E (0.55) KCNH2HRH2HRH1HRH3GRIN1
SCHEMBL6619551 0.79 KDM4E (0.55) KCNH2HRH2HRH1HRH3GRIN1
Hydrochloric Acid SCHEMBL6621037 0.78 KDM4E (0.54) KCNH2HRH2HRH1HRH3GRIN1
SCHEMBL7532599 0.73 KCNH2 (0.38) KCNH2HRH2HRH1HRH3GRIN2B
SCHEMBL6094338 0.73 HRH2 (0.52) KCNH2HRH2HRH1HRH3GRIN1
SCHEMBL6737648 0.72 KCNH2 (0.40) KCNH2HRH2HRH1HRH3GRIN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040229900-A1 Bispidine compounds useful in the treatment of cardiac arrythmias ASTRAZENECA AB (SE) 2004-11-18 US disclosed
EP-1192157-A1 BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2002-04-03 EP disclosed
WO-2000077000-A1 NEW BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2000-12-21 WO disclosed
EP-1054884-A1 BENZOFURAN-4-CARBOXAMIDES AND THEIR THERAPEUTIC USE Darwin Discovery Limited (GB) 2000-11-29 EP disclosed
WO-1999040085-A1 BENZOFURAN-4-CARBOXAMIDES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LIMITED (GB) 1999-08-12 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-20040229900-A1 Bispidine compounds useful in the treatment of cardiac arrythmias ADRA1B, ADRB2, ADRA1D KCNH2 13/4885HRH2 113/4885HRH1 184/4885

“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.