SCHEMBL1328100

SCHEMBL1328100

CCc1cccc(CC)c1-c1cc(OC(C)C)c(CN2CCc3ccccc32)c(C)n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 7/20 0.41
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
EZH2 Q15910 2/20 0.37
HTR1A P08908 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TSHR P16473 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
SCHEMBL1327065 0.94 C5AR1 (0.41) C5AR1ALDH1A1MAPTADRA1DADRA1A
SCHEMBL2140376 0.89 C5AR1 (0.41) C5AR1ALDH1A1MAPTEZH2KDM4E
SCHEMBL2138106 0.88 EZH2 (0.36) C5AR1EZH2
SCHEMBL1327377 0.86 C5AR1 (0.37) C5AR1EZH2
SCHEMBL1327275 0.85 C5AR1 (0.37) C5AR1EZH2
SCHEMBL1327356 0.85 C5AR1 (0.46) C5AR1ALDH1A1MAPTKDM4ETAAR1
SCHEMBL1327242 0.84 C5AR1 (0.37) C5AR1ALDH1A1MAPTHTR1AADRA1D
SCHEMBL1327860 0.82 C5AR1 (0.41) C5AR1
SCHEMBL1327642 0.81 C5AR1 (0.40) C5AR1
SCHEMBL1329245 0.81 C5AR1 (0.40) C5AR1

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 2/4885ALDH1A1 1966/4885MAPT 4726/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 C5AR1 2/4885ALDH1A1 1966/4885MAPT 4726/4885

“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.