SCHEMBL1111072

SCHEMBL1111072

CC(C)(N)c1cccc(C(F)(F)F)n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 9/20 0.46
IDH2 P48735 2/20 0.46
P2RX7 Q99572 1/20 0.44
ADRB1 P08588 1/20 0.42
NOTUM Q6P988 1/20 0.40
PGK1 P00558 1/20 0.39
PGK2 P07205 1/20 0.39
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA3 P34903 1/20 0.36
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
TAS2R14 Q9NYV8 1/20 0.35
GRM5 P41594 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
SCHEMBL30818068 1.00 IDH1 (0.46) IDH1IDH2P2RX7ADRB1NOTUM
Hydrochloric Acid SCHEMBL30818101 0.98 IDH1 (0.45) IDH1IDH2P2RX7ADRB1NOTUM
Hydrochloric Acid SCHEMBL1192288 0.98 IDH1 (0.45) IDH1IDH2P2RX7ADRB1NOTUM
SCHEMBL1273797 0.89 IRAK4 (0.37) IDH1IDH2P2RX7ADRB1PGK1
SCHEMBL3295150 0.83 P2RX7 (0.50) IDH1IDH2P2RX7ADRB1NOTUM
SCHEMBL2609323 0.82 IDH1 (0.49) IDH1IDH2P2RX7ADRB1NOTUM
SCHEMBL1192408 0.80 ALDH1A1 (0.46) P2RX7
SCHEMBL29168104 0.78 IRAK4 (0.33) IDH1IDH2P2RX7PGK1PGK2
SCHEMBL1111306 0.78 ADRB1 (0.46) IDH1IDH2P2RX7ADRB1NOTUM
SCHEMBL30818115 0.78 ADRB1 (0.46) IDH1IDH2P2RX7ADRB1NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117529476-A Preparation of substituted 1, 2-diamino heterocyclic derivatives and their use as medicaments 亚飞络思制药公司 2024-02-06 CN 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
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
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
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 IDH1 4405/4885IDH2 4194/4885P2RX7 105/4885

“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.