SCHEMBL4535755

SCHEMBL4535755

CC(C)N1CC[C@@H](Oc2ccc3cc(I)ccc3n2)C1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.43
SRC P12931 1/20 0.39
ATM Q13315 1/20 0.38
ATR Q13535 1/20 0.38
KCNH2 Q12809 2/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 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
SCHEMBL3322308 0.74 HRH3 (0.39) HRH3ATMATRCNR1CNR2
SCHEMBL2212906 0.72 HRH3 (0.53) HRH3
SCHEMBL20152054 0.72 HRH3 (0.48) HRH3
SCHEMBL20152046 0.72 ADORA2A (0.43) HRH3
SCHEMBL2212428 0.71 HRH3 (0.52) HRH3
SCHEMBL20152049 0.71 RET (0.39) HRH3CNR1CNR2TLR9TLR8
SCHEMBL2214462 0.71 HRH3 (0.52) HRH3
SCHEMBL2209035 0.70 HRH3 (0.68) HRH3
SCHEMBL16621394 0.70 KCNH2 (0.42) HRH3ATMATRKCNH2
SCHEMBL16621393 0.70 KCNH2 (0.42) HRH3ATMATRKCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264426-A1 Bicyclic aromatic substituted pyridone derivative MSD K.K. (JP) 2009-10-22 US disclosed
EP-1939194-A1 BICYCLIC AROMATIC SUBSTITUTED PYRIDONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-07-02 EP 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-20090264426-A1 Bicyclic aromatic substituted pyridone derivative PYCR1, CHRM1, MTR HRH3 137/4885SRC 3724/4885ATM 2087/4885

“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.