SCHEMBL6733555

SCHEMBL6733555

COc1ccc(OC(CCCN2CC3CC(C2)CN(C(=O)OC(C)(C)C)C3)c2ccc(C#N)cc2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.39
GPR119 Q8TDV5 3/20 0.39
SLC6A4 P31645 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
NSD2 O96028 1/20 0.36
EHMT2 Q96KQ7 1/20 0.36
EGLN2 Q96KS0 1/20 0.36
STS P08842 1/20 0.36
EPHX2 P34913 2/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL6094463 0.92 PDE4B (0.40) PDE4BGPR119SLC6A4HRH3NSD2
SCHEMBL4414313 0.90 PDE4B (0.39) PDE4BGPR119SLC6A4HRH3NSD2
SCHEMBL6740792 0.89 SLC6A4 (0.41) SLC6A4HRH3MAPT
SCHEMBL6995417 0.87 SLC6A4 (0.39) SLC6A4HRH3MAPT
SCHEMBL6992027 0.86 HRH3 (0.39) PDE4BSLC6A4HRH3MAPT
SCHEMBL5965689 0.86 SLC6A4 (0.39) GPR119SLC6A4HRH3NSD2EHMT2
SCHEMBL5965803 0.86 GPR119 (0.41) PDE4BGPR119SLC6A4HRH3NSD2
SCHEMBL5965715 0.86 GPR119 (0.41) PDE4BGPR119SLC6A4HRH3NSD2
SCHEMBL6739004 0.86 POLB (0.40) SLC6A4HRH3MAPT
SCHEMBL6990939 0.85 HRH3 (0.42) SLC6A4HRH3MAPT

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 PDE4B 702/4885GPR119 1522/4885SLC6A4 1428/4885

“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.