SCHEMBL6738570

SCHEMBL6738570

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

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.46
ATM Q13315 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KCNH2 Q12809 1/20 0.44
GRIN2B Q13224 1/20 0.44
PDGFRB P09619 4/20 0.42
KIT P10721 1/20 0.42
PDGFRA P16234 1/20 0.42
FLT3 P36888 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ABCB1 P08183 1/20 0.41
SHMT2 P34897 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL6739594 0.92 KCNH2 (0.44) L3MBTL1KCNH2GRIN2BPDGFRBKIT
SCHEMBL6734803 0.91 GRIN2B (0.54) L3MBTL1KCNH2GRIN2BALDH1A1KDM4E
SCHEMBL6739974 0.90 KCNH2 (0.49) L3MBTL1KCNH2GRIN2BSMN1; SMN2ALDH1A1
SCHEMBL6738037 0.87 CHRNA7 (0.47) L3MBTL1KCNH2ALDH1A1KDM4EMEN1
SCHEMBL6740165 0.86 KCNH2 (0.46) L3MBTL1NPSR1KCNH2GRIN2BALDH1A1
SCHEMBL6740324 0.86 GRIN2B (0.52) KCNH2GRIN2BALDH1A1KDM4EMEN1
SCHEMBL6742864 0.85 KCNH2 (0.44) NPSR1KCNH2SMN1; SMN2ALDH1A1MEN1
SCHEMBL6739331 0.85 KCNH2 (0.46) KCNH2GRIN2BPDGFRBSMN1; SMN2ALDH1A1
SCHEMBL6738896 0.85 MEN1 (0.51) L3MBTL1KCNH2GRIN2BALDH1A1KDM4E
SCHEMBL6734967 0.84 MEN1 (0.45) KCNH2SMN1; SMN2ALDH1A1KDM4EMEN1

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 L3MBTL1 1553/4885ATM 3568/4885NPSR1 120/4885

“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.