SCHEMBL6997223

SCHEMBL6997223

CS(=O)(=O)Nc1ccc(C(=O)CN2CC3CC(C2)CN(CC(O)COc2ccc(C#N)cc2)C3)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 5/20 0.51
ADRB1 P08588 5/20 0.51
ADRB3 P13945 5/20 0.51
KCNH2 Q12809 2/20 0.49
GRIN2B Q13224 2/20 0.47
GRIN1 Q05586 1/20 0.47
POLB P06746 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ABCB1 P08183 1/20 0.42
ALDH1A1 P00352 3/20 0.41
PGR P06401 1/20 0.41
MEN1 O00255 1/20 0.41
CYP2D6 P10635 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPK1 P28482 2/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 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
SCHEMBL6990977 0.89 GRIN1 (0.56) KCNH2GRIN2BGRIN1POLBKDM4E
SCHEMBL6995821 0.88 KCNH2 (0.53) ADRB2ADRB1ADRB3KCNH2POLB
SCHEMBL6620166 0.81 ADRB2 (0.59) ADRB2ADRB1ADRB3KCNH2POLB
SCHEMBL7032100 0.79 KDM4E (0.60) KCNH2GRIN2BGRIN1KDM4EALDH1A1
SCHEMBL7032087 0.79 KDM4E (0.60) KCNH2GRIN2BGRIN1KDM4EALDH1A1
SCHEMBL6993770 0.79 KDM4E (0.60) KCNH2GRIN2BGRIN1KDM4EALDH1A1
SCHEMBL6993777 0.79 KDM4E (0.60) KCNH2GRIN2BGRIN1KDM4EALDH1A1
SCHEMBL7025765 0.79 KCNH2 (0.50) KCNH2POLBKDM4EABCB1ALDH1A1
SCHEMBL7034957 0.79 KDM4E (0.46) KCNH2GRIN2BGRIN1POLBKDM4E
SCHEMBL7036098 0.78 KCNH2 (0.52) KCNH2POLBKDM4EABCB1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030212095-A1 New bispidine compounds and their use in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2003-11-13 US disclosed
EP-1301510-A1 NEW BISPIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2003-04-16 EP disclosed
WO-2002004446-A1 NEW BISPIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2002-01-17 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-20030212095-A1 New bispidine compounds and their use in the treatment of cardiac arrhythmias KCNH1, LBR, CACNA1E ADRB2 9/4885ADRB1 30/4885ADRB3 5/4885

“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.