SCHEMBL1328741

SCHEMBL1328741

CCc1cccc(CC)c1-c1cc(OC(C)C)c(COc2cc(F)cc(F)c2)c(C)n1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 15/20 0.38
CD274 Q9NZQ7 1/20 0.35
P2RX7 Q99572 1/20 0.33
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
GCK P35557 1/20 0.31
DHFR P00374 1/20 0.31
DCPS Q96C86 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
SCHEMBL1328471 0.89 C5AR1 (0.39) C5AR1MAPTHPGDTSHRHTT
SCHEMBL1329900 0.88 C5AR1 (0.41) C5AR1CD274
SCHEMBL1329254 0.88 C5AR1 (0.42) C5AR1CD274
SCHEMBL1330106 0.88 C5AR1 (0.42) C5AR1MAPTHPGDTSHRHTT
SCHEMBL1329454 0.88 FFAR1 (0.38) C5AR1MAPTHPGDTSHRHTT
SCHEMBL1328648 0.87 C5AR1 (0.38) C5AR1
SCHEMBL1329131 0.87 C5AR1 (0.37) C5AR1DHFRDCPS
SCHEMBL1329448 0.87 FFAR4 (0.40) C5AR1DHFRDCPS
SCHEMBL1327756 0.87 C5AR1 (0.37) C5AR1MAPTHPGDTSHRHTT
SCHEMBL1329680 0.87 DHFR (0.40) C5AR1HPGDDHFRDCPS

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 2/4885CD274 1147/4885P2RX7 16/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 C5AR1 2/4885CD274 1147/4885P2RX7 16/4885

“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.