SCHEMBL1329971

SCHEMBL1329971

CCc1cccc(CC)c1-c1cc(OC)c(CN(CCc2ccccc2)Cc2ccc(C)cc2)c(C)n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
BCHE P06276 9/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
C5AR1 P21730 3/20 0.39
ACHE P22303 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
SIGMAR1 Q99720 2/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
EBP Q15125 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37

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
SCHEMBL1328529 0.96 L3MBTL1 (0.47) L3MBTL1BCHEHTR2AHTR2CHTR2B
SCHEMBL1329735 0.94 BCHE (0.47) L3MBTL1BCHEHTR2AHTR2CHTR2B
SCHEMBL1327526 0.94 BCHE (0.47) L3MBTL1BCHEHTR2AHTR2CHTR2B
SCHEMBL1327852 0.93 L3MBTL1 (0.45) L3MBTL1BCHEHTR2AHTR2CHTR2B
SCHEMBL1327794 0.93 L3MBTL1 (0.45) L3MBTL1BCHEHTR2AHTR2CHTR2B
SCHEMBL1328530 0.90 BCHE (0.45) L3MBTL1BCHEC5AR1ACHE
SCHEMBL1329706 0.90 L3MBTL1 (0.38) L3MBTL1BCHEC5AR1ALDH1A1MEN1
SCHEMBL1328488 0.89 C5AR1 (0.41) L3MBTL1BCHEC5AR1ACHEALDH1A1
SCHEMBL1327870 0.89 C5AR1 (0.44) BCHEC5AR1ACHEMEN1KMT2A
SCHEMBL1328259 0.89 L3MBTL1 (0.41) L3MBTL1BCHEHTR2AHTR2CHTR2B

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 L3MBTL1 3202/4885BCHE 3774/4885HTR2A 410/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 L3MBTL1 3202/4885BCHE 3774/4885HTR2A 410/4885

“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.