SCHEMBL1327632

SCHEMBL1327632

CCc1cccc(CC)c1-c1cc(OC(C)C)c(COc2ccccc2Cc2ccccc2)c(C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 2/20 0.39
FFAR4 Q5NUL3 1/20 0.38
DRD2 P14416 2/20 0.37
DRD1 P21728 2/20 0.37
DRD3 P35462 1/20 0.37
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
NISCH Q9Y2I1 1/20 0.36
HRH1 P35367 2/20 0.36
PDE9A O76083 1/20 0.36
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE1C Q14123 1/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36
THRB P10828 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 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
SCHEMBL1329505 0.90 MCL1 (0.39) C5AR1FFAR4THRBL3MBTL1SMN1; SMN2
SCHEMBL1327763 0.90 FFAR4 (0.41) C5AR1FFAR4CYP1A2CYP3A4CYP2C9
SCHEMBL1327730 0.90 C5AR1 (0.42) C5AR1FFAR4NISCHLMNAPOLB
SCHEMBL1327856 0.88 C5AR1 (0.41) C5AR1FFAR4DRD2NISCHHTR1A
SCHEMBL1330106 0.87 C5AR1 (0.42) C5AR1FFAR4TSHRL3MBTL1SMN1; SMN2
SCHEMBL1330290 0.87 C5AR1 (0.42) C5AR1TP53L3MBTL1SMN1; SMN2
SCHEMBL1329605 0.86 C5AR1 (0.40) C5AR1FFAR4NISCHCYP1A2CYP3A4
SCHEMBL1328120 0.86 C5AR1 (0.40) C5AR1FFAR4CYP1A2CYP3A4TSHR
SCHEMBL1329091 0.84 C5AR1 (0.39) C5AR1FFAR4POLB
SCHEMBL1330137 0.84 C5AR1 (0.40) C5AR1TSHRL3MBTL1HPGDLMNA

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 5 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-7863454-B2 3-substituted-6-aryl pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-01-04 US disclosed
US-20090176980-A1 3-Substituted-6-Aryl Pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2009-07-09 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 (2 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 2/4885FFAR4 138/4885DRD2 879/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 C5AR1 2/4885FFAR4 138/4885DRD2 879/4885

“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.