SCHEMBL1329080

SCHEMBL1329080

CCc1cccc(CC)c1-c1cc(OC)c(COc2ccccc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 6/20 0.41
ABCB1 P08183 2/20 0.39
MAOB P27338 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
ATM Q13315 1/20 0.38
BCHE P06276 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
ALKBH1 Q13686 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PARP15 Q460N3 1/20 0.37
PARP10 Q53GL7 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTR1A P08908 1/20 0.37
DRD2 P14416 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
SCHEMBL1330153 0.95 C5AR1 (0.39) C5AR1L3MBTL1MAPTHPGDATM
SCHEMBL1329002 0.92 KDM4E (0.40) C5AR1MAOBMAPTBCHEMEN1
SCHEMBL1328369 0.92 PTGER4 (0.43) C5AR1CD274KMT2A
SCHEMBL1327580 0.91 L3MBTL1 (0.41) ABCB1L3MBTL1BCHETDP1
SCHEMBL1329562 0.90 MEN1 (0.40) C5AR1MAOBMAPTHPGDATM
SCHEMBL1327581 0.89 MAPT (0.41) C5AR1L3MBTL1MAPTHPGDATM
SCHEMBL1329711 0.88 PARP15 (0.44) C5AR1MAPTHPGDMEN1KMT2A
SCHEMBL1328871 0.88 C5AR1 (0.38) C5AR1L3MBTL1CD274
SCHEMBL1328043 0.87 FFAR1 (0.42) C5AR1MAOBBCHE
SCHEMBL1328720 0.87 MAPT (0.42) C5AR1L3MBTL1MAPTATMMEN1

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 2/4885ABCB1 2107/4885MAOB 588/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 C5AR1 2/4885ABCB1 2107/4885MAOB 588/4885

“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.