SCHEMBL1327645

SCHEMBL1327645

CCc1cccc(CC)c1-c1cc(OC(C)C)c(COc2ccc(F)c(C(F)(F)F)c2)c(C)n1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 3/20 0.35
AR P10275 4/20 0.35
S1PR1 P21453 9/20 0.34
NR1H4 Q96RI1 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
S1PR3 Q99500 2/20 0.33
RXRA P19793 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
HTR2A P28223 1/20 0.32
SLC6A4 P31645 1/20 0.32
KCNH2 Q12809 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
SCHEMBL1329165 0.90 PTGDR2 (0.37) C5AR1ARS1PR1NR1H4
SCHEMBL1329446 0.90 C5AR1 (0.39) C5AR1AR
SCHEMBL1329454 0.89 FFAR1 (0.38) C5AR1
SCHEMBL1327756 0.89 C5AR1 (0.37) C5AR1
SCHEMBL1329325 0.88 AR (0.37) C5AR1ARNR1H4RXFP1RXRA
SCHEMBL1329423 0.87 C5AR1 (0.39) C5AR1
SCHEMBL1329513 0.86 C5AR1 (0.38) C5AR1S1PR1RXFP1S1PR3RXRA
SCHEMBL1328029 0.85 C5AR1 (0.39) C5AR1RXFP1HTR2A
SCHEMBL1329873 0.85 C5AR1 (0.36) C5AR1NR1H4
SCHEMBL1329490 0.85 C5AR1 (0.38) C5AR1S1PR1NR1H4RXFP1HTR2A

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 2/4885AR 258/4885S1PR1 220/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 C5AR1 2/4885AR 258/4885S1PR1 220/4885

“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.