SCHEMBL1327307

SCHEMBL1327307

CCc1cc(F)cc(CC)c1-c1cc(OC(C)C)c(CN2C[C@@H](C)O[C@H](C)C2)c(C)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.36
C5AR1 P21730 2/20 0.34
HTT P42858 1/20 0.33
KDM4E B2RXH2 3/20 0.33
HSD17B10 Q99714 1/20 0.33
S1PR1 P21453 3/20 0.33
LRRK2 Q5S007 1/20 0.33
AVPR1B P47901 1/20 0.32
PDE10A Q9Y233 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP2A13 Q16696 1/20 0.31
GRM2 Q14416 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PDE1B Q01064 1/20 0.31

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
SCHEMBL1327167 0.89 CYP2A13 (0.41) ATMC5AR1HTTKDM4EHSD17B10
SCHEMBL1327764 0.83 KDM4E (0.38) ATMC5AR1HTTKDM4ES1PR1
SCHEMBL1329962 0.80 CYP2A13 (0.38) ATMC5AR1HTTKDM4ELRRK2
SCHEMBL1328483 0.79 C5AR1 (0.41) C5AR1KDM4EHSD17B10S1PR1POLB
SCHEMBL2138632 0.77 CYP2A13 (0.42) ATMC5AR1HTTKDM4EHSD17B10
SCHEMBL1327222 0.75 C5AR1 (0.38) ATMC5AR1LRRK2PDE10A
SCHEMBL1329326 0.74 C5AR1 (0.42) C5AR1HTTKDM4ECYP2A13
SCHEMBL1329322 0.74 C5AR1 (0.42) C5AR1HTTKDM4ECYP2A13
SCHEMBL2141551 0.74 PDE10A (0.31) LRRK2PDE10A
SCHEMBL2141543 0.74 PDE10A (0.31) LRRK2PDE10A

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 10 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-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES HUTCHINSON ALAN J (US) 2011-11-17 US disclosed
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-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-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
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
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 ATM 2623/4885C5AR1 2/4885HTT 4493/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 ATM 2623/4885C5AR1 2/4885HTT 4493/4885

“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.