SCHEMBL6000157

SCHEMBL6000157

CCCC(O)c1ccc(CNC)c(Oc2ccc3c(ccn3C)c2C)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 3/20 0.36
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
SLC6A4 P31645 12/20 0.32
HTR2A P28223 7/20 0.32
KCNH2 Q12809 7/20 0.32
SLC6A2 P23975 5/20 0.32
SLC6A3 Q01959 5/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
HIF1A Q16665 1/20 0.31
ADRB2 P07550 1/20 0.30

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
SCHEMBL5999774 0.93 SLC6A4 (0.34) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL6000197 0.87 SLC6A4 (0.33) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL5999787 0.83 SLC6A4 (0.33) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL6000011 0.79 RHEB (0.44) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL5998864 0.78 SLC6A4 (0.54) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL6000033 0.78 SLC6A4 (0.48) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL6000206 0.74 ADRB2 (0.35) HTR2AADRB2
SCHEMBL6000549 0.74 HTR2A (0.41) SLC6A4HTR2AKCNH2SLC6A2
SCHEMBL5999748 0.73 RHEB (0.41) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL5497114 0.73 SLC6A4 (0.46) SLC6A4HTR2AKCNH2SLC6A2SLC6A3

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-20060058361-A1 Therapeutic diphenyl ether ligands PFIZER INC 2006-03-16 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-20060058361-A1 Therapeutic diphenyl ether ligands HTR2B, HTR2C, HTR3B PDE4D 1195/4885PDE4A 854/4885PDE4B 707/4885

“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.