SCHEMBL1329434

SCHEMBL1329434

CCc1cccc(CC)c1-c1cc(Oc2ccc(C#N)c(O)c2)c(CN2CCc3ccccc3C2)c(C)n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 2/20 0.40
PRMT5 O14744 4/20 0.38
WDR77 Q9BQA1 4/20 0.38
DRD2 P14416 8/20 0.37
DRD3 P35462 8/20 0.37
DRD4 P21917 6/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
TMEM97 Q5BJF2 2/20 0.36
DRD1 P21728 2/20 0.36
DRD5 P21918 2/20 0.36
LMNA P02545 1/20 0.36
MAOB P27338 1/20 0.35
POLB P06746 1/20 0.35
AR P10275 1/20 0.35

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
SCHEMBL1327169 0.86 MAOB (0.42) C5AR1KDM4EALDH1A1MAPTHTT
SCHEMBL1327445 0.84 C5AR1 (0.42) C5AR1PRMT5WDR77KDM4EALDH1A1
SCHEMBL2141591 0.83 L3MBTL1 (0.43) C5AR1PRMT5WDR77KDM4EALDH1A1
SCHEMBL1327907 0.83 C5AR1 (0.48) C5AR1KDM4EALDH1A1MAPTHTT
SCHEMBL2143258 0.83 KMT2A (0.44) C5AR1PRMT5WDR77DRD2DRD3
SCHEMBL1327975 0.83 MEN1 (0.48) C5AR1PRMT5WDR77DRD2DRD3
SCHEMBL1329288 0.82 MAPT (0.42) C5AR1PRMT5WDR77KDM4EALDH1A1
SCHEMBL2138901 0.82 MEN1 (0.48) C5AR1KDM4EALDH1A1MAPTHTT
SCHEMBL2140546 0.81 PRMT5 (0.43) C5AR1PRMT5WDR77DRD2DRD3
SCHEMBL1327932 0.81 C5AR1 (0.41) C5AR1PRMT5WDR77KDM4EALDH1A1

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 2/4885PRMT5 1446/4885WDR77 1133/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 C5AR1 2/4885PRMT5 1446/4885WDR77 1133/4885

“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.