SCHEMBL6736864

SCHEMBL6736864

CCCNC(=O)N1CC2CC(CN(C[C@H](O)COc3ccc(C#N)cc3)C2)C1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.51
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
POLB P06746 2/20 0.42
MAPK1 P28482 2/20 0.41
HPGD P15428 2/20 0.40
MAPT P10636 1/20 0.40
MGLL Q99685 1/20 0.40
AGER Q15109 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL6738449 1.00 KCNH2 (0.51) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL6738998 1.00 KCNH2 (0.51) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL6735514 0.95 KCNH2 (0.48) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL6739623 0.95 KCNH2 (0.48) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL6739920 0.93 MGLL (0.50) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL6734797 0.92 KCNH2 (0.50) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL6739387 0.92 KCNH2 (0.50) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL6742834 0.92 KCNH2 (0.50) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL7478649 0.91 KCNH2 (0.49) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL6738303 0.91 KCNH2 (0.49) 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-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 KCNH2 13/4885KDM4E 4541/4885ALDH1A1 790/4885

“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.