SCHEMBL4135762

SCHEMBL4135762

NC(=O)c1ccc(-c2ccc3c(c2)CCC(N2CCSCC2)C3)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.41
PDE4B Q07343 3/20 0.41
PDE4C Q08493 3/20 0.41
PDE4D Q08499 3/20 0.41
FAAH O00519 1/20 0.39
HRH3 Q9Y5N1 5/20 0.38
DRD3 P35462 1/20 0.38
DGAT1 O75907 1/20 0.36
CYP11B2 P19099 1/20 0.36
MCHR1 Q99705 2/20 0.35
KCNH2 Q12809 1/20 0.35
GRIN2B Q13224 1/20 0.34
CREBBP Q92793 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
MAP4K4 O95819 1/20 0.34

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
SCHEMBL4135754 0.89 HRH3 (0.42) PDE4APDE4BPDE4CPDE4DFAAH
SCHEMBL4143483 0.83 FAAH (0.39) PDE4APDE4BPDE4CPDE4DFAAH
SCHEMBL4136604 0.81 KDM2B (0.42) PDE4APDE4BPDE4CPDE4DFAAH
SCHEMBL4140115 0.79 TDP2 (0.45) FAAHHRH3CYP11B2
SCHEMBL4140118 0.79 TDP2 (0.45) FAAHHRH3CYP11B2
SCHEMBL4144270 0.79 TDP2 (0.45) FAAHHRH3CYP11B2
SCHEMBL4136321 0.79 TDP2 (0.45) FAAHHRH3CYP11B2
SCHEMBL4136102 0.78 FAAH (0.44) FAAHMCHR1GRIN2B
SCHEMBL4143078 0.77 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DHRH3
SCHEMBL4139662 0.77 PNMT (0.35) FAAHDRD3DGAT1GRIN2B

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-20090163482-A1 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR MCHARDY STANTON FURST 2009-06-25 US claimed

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-20090163482-A1 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR HRH3, HRH4, HRH1 PDE4A 1382/4885PDE4B 1236/4885PDE4C 1519/4885

“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.