SCHEMBL6989327

SCHEMBL6989327

N#Cc1ccc(OCC(O)CN2CC3CC(CN(CCNC(=O)c4ccc([N+](=O)[O-])cc4)C3)C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.49
DRD4 P21917 1/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 3/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
POLB P06746 1/20 0.42
LMNA P02545 1/20 0.42
KDM4E B2RXH2 1/20 0.40
PTPN1 P18031 1/20 0.40
FAAH O00519 1/20 0.40
ACHE P22303 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL7036069 0.88 KCNH2 (0.52) KCNH2MAPTALDH1A1CA12CA1
SCHEMBL6993767 0.85 KCNH2 (0.51) KCNH2MAPTHTTCD274POLB
SCHEMBL6995821 0.85 KCNH2 (0.53) KCNH2ALDH1A1CA12CA1CA2
SCHEMBL7031260 0.83 KCNH2 (0.58) KCNH2MAPTALDH1A1HTTPOLB
SCHEMBL6619294 0.79 DRD4 (0.46) KCNH2DRD4MAPTALDH1A1HTT
SCHEMBL7028488 0.79 CD274 (0.61) ALDH1A1CD274RAB9A
SCHEMBL6993770 0.78 KDM4E (0.60) KCNH2MAPTALDH1A1KDM4EMEN1
SCHEMBL7032087 0.78 KDM4E (0.60) KCNH2MAPTALDH1A1KDM4EMEN1
SCHEMBL7032100 0.78 KDM4E (0.60) KCNH2MAPTALDH1A1KDM4EMEN1
SCHEMBL6993777 0.78 KDM4E (0.60) KCNH2MAPTALDH1A1KDM4EMEN1

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 KCNH2 7/4885DRD4 97/4885MAPT 4035/4885

“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.