SCHEMBL4469675

SCHEMBL4469675

CC(C)(C)OC(=O)N1CCN(c2ccn(Cc3cccc(F)c3)c(=O)c2Br)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.48
GPR119 Q8TDV5 1/20 0.47
VEGFA P15692 1/20 0.46
EGLN1 Q9GZT9 1/20 0.46
MAPK1 P28482 1/20 0.43
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
IDO2 Q6ZQW0 1/20 0.42
HTR6 P50406 2/20 0.41
NPY2R P49146 1/20 0.41
ALDH1A1 P00352 1/20 0.41
P2RX7 Q99572 2/20 0.41
OPRD1 P41143 2/20 0.40
TP53 P04637 1/20 0.40
CCNT1 O60563 1/20 0.40
BACE1 P56817 1/20 0.40
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL27621117 0.86 MAPK14 (0.47) MAPK14HTR6NPY2RALDH1A1
SCHEMBL3521262 0.84 GPR119 (0.45) MAPK14GPR119MAPK1IDO1TDO2
Trifluoroacetic Acid SCHEMBL4473914 0.82 MAPK14 (0.46) MAPK14HTR6NPY2RALDH1A1TP53
SCHEMBL3852174 0.82 HTR6 (0.63) GPR119MAPK1HTR6ALDH1A1
SCHEMBL12598810 0.80 VEGFA (0.72) GPR119VEGFAEGLN1IDO1TDO2
SCHEMBL4474203 0.80 MAPK14 (0.57) MAPK14HTR6ALDH1A1TP53
SCHEMBL3853297 0.80 ALDH1A1 (0.47) GPR119HTR6NPY2RALDH1A1CCNT1
Tert-Butyl Formate SCHEMBL27621119 0.80 MAPK14 (0.46) MAPK14HTR6
SCHEMBL14900091 0.78 VEGFA (0.56) GPR119VEGFAEGLN1IDO1TDO2
SCHEMBL8536087 0.78 CYP2D6 (0.61) GPR119IDO1TDO2IDO2NPY2R

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1490064-A1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE Pharmacia Corporation (US) 2004-12-29 EP claimed
US-20040058964-A1 Substituted pyridinones PHARMACIA LLC 2004-03-25 US claimed
WO-2003068230-A1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE PHARMACIA CORPORATION (US) 2003-08-21 WO claimed
US-7629363-B2 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PFIZER INC (US) 2009-12-08 US disclosed
US-7067540-B2 Substituted pyridinones PHARMACIA CORPORATION (US) 2006-06-27 US disclosed
US-20050176775-A1 Substituted pyridinones PHARMACIA CORPORATION 2005-08-11 US disclosed
WO-2005018557-A2 SUBSTITUTED PYRIDINONES PHARMACIA CORPORATION (US) 2005-03-03 WO disclosed
US-20040058964-A1 Substituted pyridinones PHARMACIA LLC 2004-03-25 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-20040058964-A1 Substituted pyridinones MAPK1, MAPK6, MAPK7 MAPK14 41/4885GPR119 803/4885VEGFA 3363/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 MAPK14 53/4885GPR119 542/4885VEGFA 3345/4885

“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.