SCHEMBL6742864

SCHEMBL6742864

COc1ccc(CCNC(=O)N2CC3CC(CN(CC(O)COc4ccc(C#N)cc4)C3)C2)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.44
KMT2A Q03164 4/20 0.43
MCHR1 Q99705 1/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
POLB P06746 2/20 0.43
LMNA P02545 3/20 0.42
PKM P14618 1/20 0.42
MEN1 O00255 2/20 0.42
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL6738037 0.92 CHRNA7 (0.47) KCNH2KMT2AMCHR1ALDH1A1LMNA
SCHEMBL7028528 0.89 KMT2A (0.42) KCNH2KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL7028529 0.89 KMT2A (0.42) KCNH2KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL7028336 0.88 KCNH2 (0.47) KCNH2KMT2AMCHR1ALDH1A1MEN1
SCHEMBL6622817 0.87 LMNA (0.44) KCNH2KMT2AMCHR1ALDH1A1LMNA
SCHEMBL6739625 0.86 POLB (0.48) KMT2AMCHR1ALDH1A1SMN1; SMN2POLB
SCHEMBL6738570 0.85 L3MBTL1 (0.46) KCNH2KMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL6736864 0.84 KCNH2 (0.51) KCNH2KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL6738998 0.84 KCNH2 (0.51) KCNH2KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL6738449 0.84 KCNH2 (0.51) KCNH2KMT2AALDH1A1MAPTSMN1; SMN2

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 13/4885KMT2A 3468/4885MCHR1 662/4885

“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.