SCHEMBL1328675

SCHEMBL1328675

CCc1cccc(CC)c1-c1cc(O[C@H](C)COC)c(COc2cc(C(C)C)ccc2C)c(C)n1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 3/20 0.40
ACHE P22303 9/20 0.36
BCHE P06276 7/20 0.36
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MCHR1 Q99705 1/20 0.32

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
SCHEMBL1327146 0.90 C5AR1 (0.42) C5AR1ACHEBCHEHTTSMN1; SMN2
SCHEMBL1329084 0.84 C5AR1 (0.40) C5AR1ACHEBCHEHTTSMN1; SMN2
SCHEMBL1327218 0.83 BCHE (0.44) C5AR1ACHEBCHEHTTSMN1; SMN2
SCHEMBL1327641 0.83 C5AR1 (0.43) C5AR1ACHEBCHEHTTSMN1; SMN2
SCHEMBL1328288 0.82 C5AR1 (0.42) C5AR1ACHEBCHEHTTSMN1; SMN2
SCHEMBL1326804 0.81 C5AR1 (0.44) C5AR1ACHEBCHEHTTSMN1; SMN2
SCHEMBL1328730 0.81 ACHE (0.42) C5AR1ACHEBCHEHTTSMN1; SMN2
SCHEMBL1327561 0.81 C5AR1 (0.39) C5AR1ACHEBCHEHTTSMN1; SMN2
SCHEMBL1327027 0.80 C5AR1 (0.41) C5AR1ACHEBCHEHTTSMN1; SMN2
SCHEMBL1330003 0.80 ACHE (0.39) C5AR1ACHEBCHEHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7342115-B2 Binding antagonist and arylpyridine for antiinflammatory agents, cardiovascular disorders and antagonist or agonist and for immunology NEUROGEN CORPORATION (US) 2008-03-11 US claimed
US-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES HUTCHINSON ALAN J (US) 2011-11-17 US disclosed
US-7342115-B2 Binding antagonist and arylpyridine for antiinflammatory agents, cardiovascular disorders and antagonist or agonist and for immunology NEUROGEN CORPORATION (US) 2008-03-11 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-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES C3AR1, C5AR1, C5AR2 C5AR1 2/4885ACHE 2578/4885BCHE 3774/4885

“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.