SCHEMBL6990977

SCHEMBL6990977

N#Cc1ccc(OCC(O)CN2CC3CC(CN(CC(=O)c4ccc(C#N)cc4)C3)C2)cc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.56
GRIN2B Q13224 2/20 0.56
POLB P06746 3/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
KCNH2 Q12809 1/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ABCB1 P08183 3/20 0.48
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
AGER Q15109 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
SCHEMBL6997223 0.89 ADRB2 (0.51) GRIN1GRIN2BPOLBKDM4EALDH1A1
SCHEMBL6993770 0.89 KDM4E (0.60) GRIN1GRIN2BKDM4EALDH1A1KCNH2
SCHEMBL6993777 0.89 KDM4E (0.60) GRIN1GRIN2BKDM4EALDH1A1KCNH2
SCHEMBL7032087 0.89 KDM4E (0.60) GRIN1GRIN2BKDM4EALDH1A1KCNH2
SCHEMBL7032100 0.89 KDM4E (0.60) GRIN1GRIN2BKDM4EALDH1A1KCNH2
SCHEMBL7034957 0.88 KDM4E (0.46) GRIN1GRIN2BPOLBKDM4EALDH1A1
SCHEMBL7025765 0.86 KCNH2 (0.50) POLBKDM4EALDH1A1KCNH2MEN1
SCHEMBL7035960 0.85 KCNH2 (0.49) POLBKDM4EALDH1A1KCNH2MEN1
SCHEMBL6622630 0.85 MEN1 (0.53) GRIN1GRIN2BPOLBKDM4EALDH1A1
SCHEMBL6619543 0.85 MEN1 (0.53) GRIN1GRIN2BPOLBKDM4EALDH1A1

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 GRIN1 456/4885GRIN2B 318/4885POLB 2154/4885

“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.