SCHEMBL1328217

SCHEMBL1328217

CCCC(OCC)c1c(CN2CCCC2)cc(-c2c(CC)cccc2CC)nc1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
C5AR1 P21730 5/20 0.34
DHODH Q02127 1/20 0.33
CD274 Q9NZQ7 2/20 0.32
PDCD1LG2 Q9BQ51 1/20 0.32
ALDH1A1 P00352 4/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
TSHR P16473 1/20 0.31
PDCD1 Q15116 1/20 0.31
MOK Q9UQ07 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL1327060 0.84 C5AR1 (0.31) C5AR1
SCHEMBL1328171 0.79
SCHEMBL1328208 0.78
SCHEMBL14252853 0.75 C5AR1 (0.33) C5AR1KDM4ETSHRNPSR1
SCHEMBL2137925 0.72 C5AR1 (0.43) C5AR1CD274PDCD1LG2ALDH1A1KDM4E
SCHEMBL2141586 0.72 C5AR1 (0.43) C5AR1CD274PDCD1LG2ALDH1A1KDM4E
SCHEMBL1328948 0.71 C5AR1 (0.42) C5AR1CD274ALDH1A1SMN1; SMN2KDM4E
SCHEMBL1327957 0.70 C5AR1 (0.38) C5AR1
SCHEMBL2139080 0.70 MEN1 (0.43) C5AR1CD274ALDH1A1SMN1; SMN2KDM4E
SCHEMBL2140205 0.70 MEN1 (0.43) C5AR1CD274ALDH1A1SMN1; SMN2KDM4E

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 S1PR1 220/4885S1PR3 157/4885C5AR1 2/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 S1PR1 220/4885S1PR3 157/4885C5AR1 2/4885

“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.