SCHEMBL7036069

SCHEMBL7036069

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.52
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
CD274 Q9NZQ7 2/20 0.44
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HRH2 P25021 1/20 0.42
HRH1 P35367 1/20 0.42
POLB P06746 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SCN1A P35498 1/20 0.41
SCN5A Q14524 1/20 0.41
SCN9A Q15858 1/20 0.41
MAPK1 P28482 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL6993767 0.88 KCNH2 (0.51) KCNH2CD274HRH2HRH1POLB
SCHEMBL6989327 0.88 KCNH2 (0.49) KCNH2CA12CA1CA2CA9
SCHEMBL6995821 0.88 KCNH2 (0.53) KCNH2CA12CA1CA2CA9
SCHEMBL7031260 0.86 KCNH2 (0.58) KCNH2KDM4EALDH1A1POLBMEN1
SCHEMBL7028488 0.82 CD274 (0.61) CD274DRD3ALDH1A1MKNK1MKNK2
SCHEMBL6993770 0.81 KDM4E (0.60) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL7032100 0.81 KDM4E (0.60) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL7032087 0.81 KDM4E (0.60) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL6993777 0.81 KDM4E (0.60) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL7034155 0.80 KCNH2 (0.53) KCNH2KDM4EALDH1A1MEN1KMT2A

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 1 patent. 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

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 7/4885CA12 4797/4885CA1 4252/4885

“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.