SCHEMBL1111306

SCHEMBL1111306

CC(C)(O)c1cccc(C(F)(F)F)n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.46
IDH1 O75874 5/20 0.46
IDH2 P48735 4/20 0.46
P2RX7 Q99572 1/20 0.44
PGK1 P00558 1/20 0.44
PGK2 P07205 1/20 0.44
SYK P43405 2/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
AHR P35869 1/20 0.40
NOTUM Q6P988 1/20 0.40
TAS2R14 Q9NYV8 1/20 0.38
GRM5 P41594 1/20 0.38
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL30818115 1.00 ADRB1 (0.46) ADRB1IDH1IDH2P2RX7PGK1
SCHEMBL17489106 0.89 PGK1 (0.41) ADRB1PGK1PGK2SYK
SCHEMBL3295150 0.83 P2RX7 (0.50) ADRB1IDH1IDH2P2RX7PGK1
SCHEMBL2609323 0.82 IDH1 (0.49) ADRB1IDH1IDH2P2RX7PGK1
SCHEMBL13094368 0.82 PGK1 (0.38) PGK1PGK2SYK
SCHEMBL1111072 0.78 IDH1 (0.46) ADRB1IDH1IDH2P2RX7PGK1
SCHEMBL30818068 0.78 IDH1 (0.46) ADRB1IDH1IDH2P2RX7PGK1
SCHEMBL16019419 0.78 IDH1 (0.46) ADRB1IDH1IDH2P2RX7PGK1
Hydrochloric Acid SCHEMBL1192288 0.77 IDH1 (0.45) ADRB1IDH1IDH2P2RX7PGK1
Hydrochloric Acid SCHEMBL30818101 0.77 IDH1 (0.45) ADRB1IDH1IDH2P2RX7PGK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426448-B2 1,5-diphenyl-pyrrolidin-2-one compounds as CB-1 ligands ELI LILLY AND COMPANY (US) 2013-04-23 US disclosed
US-8426448-B2 1,5-diphenyl-pyrrolidin-2-one compounds as CB-1 ligands ELI LILLY AND COMPANY (US) 2013-04-23 US disclosed
CN-102119029-B 1, 5-diphenyl-pyrrolidin-2-one compounds as CB-1 ligands LILLY CO ELI 2013-03-13 CN disclosed
CN-102119029-A 1, 5-diphenyl-pyrrolidin-2-one compounds as CB-1 ligands LILLY CO ELI 2011-07-06 CN disclosed
US-20110028520-A1 1,5-DIPHENYL-PYRROLIDIN-2-ONE COMPOUNDS AS CB-1 LIGANDS ELI LILLY AND COMPANY (US) 2011-02-03 US disclosed
US-20110028520-A1 1,5-DIPHENYL-PYRROLIDIN-2-ONE COMPOUNDS AS CB-1 LIGANDS ELI LILLY AND COMPANY (US) 2011-02-03 US disclosed
EP-2278968-A2 1,5-DIPHENYL-PYRROLIDIN-2-ONE COMPOUNDS AS CB-1 LIGANDS ELI LILLY AND COMPANY (US) 2011-02-02 EP disclosed
WO-2009131814-A2 1,5-DIPHENYL-PYRROLIDIN-2-ONE COMPOUNDS AS CB-1 LIGANDS ELI LILLY AND COMPANY (US) 2009-10-29 WO disclosed
WO-2009131814-A2 1,5-DIPHENYL-PYRROLIDIN-2-ONE COMPOUNDS AS CB-1 LIGANDS ELI LILLY AND COMPANY (US) 2009-10-29 WO 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-20110028520-A1 1,5-DIPHENYL-PYRROLIDIN-2-ONE COMPOUNDS AS CB-1 LIGANDS CNR1, CNR2, GPR119 ADRB1 32/4885IDH1 4405/4885IDH2 4194/4885

“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.