SCHEMBL1328017

SCHEMBL1328017

CCc1cccc(CC)c1-c1ncc(CN(C)C(CC(C)C)c2ccccc2)c(OC)c1C

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
GABRA1 P14867 2/20 0.31
GABRB2 P47870 2/20 0.31
CYP11B1 P15538 2/20 0.31
CYP11B2 P19099 2/20 0.31
LMNA P02545 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
ABCB11 O95342 1/20 0.31
GABRA2 P47869 1/20 0.31
MEN1 O00255 1/20 0.30
CRHBP P24387 1/20 0.30
KMT2A Q03164 1/20 0.30
CRHR2 Q13324 1/20 0.30
EGFR P00533 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
SCHEMBL1328799 0.91 CYP2C9 (0.33) SLC6A2SLC6A4SLC6A3CYP2C9MEN1
SCHEMBL1329313 0.89 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3MEN1CRHBP
SCHEMBL1328616 0.87 SLC6A5 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL1329304 0.87 SLC6A5 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL1328617 0.86 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3CYP2C9MEN1
SCHEMBL1329421 0.86 BCHE (0.34) SLC6A2SLC6A4SLC6A3CYP2C9
SCHEMBL1328142 0.79 C5AR1 (0.38) SLC6A2SLC6A4SLC6A3MEN1CRHBP
SCHEMBL1327638 0.79 BCHE (0.33) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL1329151 0.78 POLB (0.46) MEN1KMT2A
SCHEMBL1329126 0.78 BCHE (0.37)

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 SLC6A2 2572/4885SLC6A4 2664/4885SLC6A3 2728/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 SLC6A2 2572/4885SLC6A4 2664/4885SLC6A3 2728/4885

“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.