SCHEMBL6743187

SCHEMBL6743187

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

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 5/20 0.40
GRIN2B Q13224 5/20 0.40
KDM1A O60341 1/20 0.39
KCNH2 Q12809 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MMP2 P08253 2/20 0.37
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
MMP3 P08254 1/20 0.37
TRPV4 Q9HBA0 1/20 0.36
KCNA5 P22460 1/20 0.36

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
SCHEMBL6322140 0.91 GRIN1 (0.40) GRIN1GRIN2BKDM1AKCNH2KDM4E
SCHEMBL6742821 0.89 KDM4E (0.51) GRIN1GRIN2BKCNH2KDM4EALDH1A1
SCHEMBL6733487 0.88 CHRNA7 (0.40) GRIN1GRIN2BKDM1AKCNH2MMP2
SCHEMBL6738989 0.87 DPP4 (0.41) GRIN1GRIN2BKDM1AKCNH2KDM4E
SCHEMBL6614408 0.86 GPR119 (0.46) GRIN1GRIN2BKDM1AKCNH2
SCHEMBL6738018 0.85 KCNH2 (0.39) GRIN1GRIN2BKDM1AKCNH2KDM4E
SCHEMBL6995039 0.83 GRIN1 (0.42) GRIN1GRIN2BKDM1AKCNH2KDM4E
SCHEMBL6997502 0.83 KCNH2 (0.46) GRIN1GRIN2BKCNH2KDM4EALDH1A1
SCHEMBL6997487 0.81 KDM4E (0.49) GRIN1GRIN2BKCNH2KDM4EALDH1A1
SCHEMBL6614804 0.80 KCNH2 (0.37) GRIN1GRIN2BKDM1AKCNH2KDM4E

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-20040229900-A1 Bispidine compounds useful in the treatment of cardiac arrythmias ASTRAZENECA AB (SE) 2004-11-18 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-20040229900-A1 Bispidine compounds useful in the treatment of cardiac arrythmias ADRA1B, ADRB2, ADRA1D GRIN1 849/4885GRIN2B 549/4885KDM1A 4132/4885

“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.