SCHEMBL1329264

SCHEMBL1329264

CCc1cccc(CC)c1-c1cc(OC2CCOCC2)c(CN2C[C@@H](C)C[C@H](C)C2)c(C)n1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 15/20 0.36
S1PR5 Q9H228 1/20 0.33
PIK3CB P42338 1/20 0.33
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL1328353 0.85 C5AR1 (0.33) C5AR1S1PR5
SCHEMBL1329322 0.84 C5AR1 (0.42) C5AR1S1PR5
SCHEMBL1329326 0.84 C5AR1 (0.42) C5AR1S1PR5
SCHEMBL1330231 0.83 C5AR1 (0.39) C5AR1PDCD1CD274MEN1KMT2A
SCHEMBL1328096 0.83 C5AR1 (0.39) C5AR1PDCD1CD274MEN1KMT2A
SCHEMBL1327926 0.83 C5AR1 (0.46) C5AR1KMT2A
SCHEMBL1327809 0.82 C5AR1 (0.39) C5AR1
SCHEMBL1328483 0.82 C5AR1 (0.41) C5AR1
SCHEMBL2141445 0.80 C5AR1 (0.34) C5AR1
SCHEMBL1328010 0.80 C5AR1 (0.40) C5AR1PDCD1CD274MEN1KMT2A

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 2 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-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 (1 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 2/4885S1PR5 224/4885PIK3CB 2240/4885

“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.