SCHEMBL1328142

SCHEMBL1328142

CCc1cccc(CC)c1-c1cc(OC)c(CN(C)C(CC(C)C)c2ccccc2)cn1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 11/20 0.38
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LNPEP Q9UIQ6 1/20 0.35
MEN1 O00255 1/20 0.35
CRHBP P24387 1/20 0.35
KMT2A Q03164 1/20 0.35
CRHR2 Q13324 1/20 0.35
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33

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
SCHEMBL1328835 0.91 C5AR1 (0.40) C5AR1SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL1328220 0.89 C5AR1 (0.39) C5AR1SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL1329578 0.87 C5AR1 (0.38) C5AR1SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL1329571 0.86 C5AR1 (0.37) C5AR1SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL1327707 0.86 C5AR1 (0.39) C5AR1SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL1327138 0.85 C5AR1 (0.37) C5AR1SLC6A2SLC6A4SLC6A3MEN1
SCHEMBL1329067 0.82 C5AR1 (0.41) C5AR1
SCHEMBL1328017 0.79 SLC6A2 (0.31) SLC6A2SLC6A4SLC6A3MEN1CRHBP
SCHEMBL1327517 0.78 C5AR1 (0.39) C5AR1SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL1329115 0.78 KDM4E (0.40) C5AR1ALDH1A1KDM4ELNPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2/4885SLC6A2 2572/4885SLC6A4 2664/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 C5AR1 2/4885SLC6A2 2572/4885SLC6A4 2664/4885

“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.