SCHEMBL19995874

SCHEMBL19995874

CCOC(=O)C(C)(C)C1=CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.46
PDK4 Q16654 1/20 0.44
GRM5 P41594 11/20 0.43
GRM1 Q13255 11/20 0.42
NAMPT P43490 1/20 0.41
ESR2 Q92731 1/20 0.40
NR1H2 P55055 1/20 0.39
HTR6 P50406 1/20 0.39
JAK1 P23458 1/20 0.38
GPR119 Q8TDV5 1/20 0.38

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
SCHEMBL30659306 0.87 ADORA1 (0.44) ADORA1PDK4GRM5GRM1NAMPT
SCHEMBL12931062 0.81 ADORA1 (0.53) ADORA1PDK4GRM5GRM1NAMPT
SCHEMBL2415278 0.81 GRM5 (0.49) GRM5
SCHEMBL10201181 0.80 PDK4 (0.51) ADORA1PDK4GRM5GRM1NAMPT
SCHEMBL17886544 0.79 ALDH1A1 (0.42)
SCHEMBL5392226 0.78 PDK4 (0.46) ADORA1PDK4GRM5GRM1NAMPT
SCHEMBL8218881 0.77 PDK4 (0.51) ADORA1PDK4GRM5GRM1NAMPT
SCHEMBL146987 0.77 PDK4 (0.45) ADORA1PDK4GRM5GRM1NAMPT
SCHEMBL9948004 0.77 ADORA1 (0.49) ADORA1PDK4GRM5GRM1NAMPT
SCHEMBL31195159 0.76 ADORA1 (0.48) ADORA1PDK4GRM5GRM1GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3515892-B1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2026-04-15 EP disclosed
CN-110392678-B Compounds and methods for IDO and TDO modulation, and indications therefor 普莱希科公司 2023-10-20 CN disclosed
US-11149011-B2 Compounds and methods for IDO and TDO modulation, and indications therefor PLEXXIKON INC. (US) 2021-10-19 US disclosed
US-11149011-B2 Compounds and methods for IDO and TDO modulation, and indications therefor PLEXXIKON INC. (US) 2021-10-19 US disclosed
EP-3768666-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION, AND INDICATIONS THEREFOR Plexxikon Inc. (US) 2021-01-27 EP disclosed
CN-112119072-A Compounds and methods for IDO and TDO modulation, and indications thereof 普莱希科公司 2020-12-22 CN disclosed
US-20190300487-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2019-10-03 US disclosed
US-20190300487-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2019-10-03 US disclosed
WO-2019183145-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2019-09-26 WO disclosed
WO-2019183145-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2019-09-26 WO disclosed
EP-3515892-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION, AND INDICATIONS THEREFOR Plexxikon Inc. (US) 2019-07-31 EP disclosed
US-20180099939-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. 2018-04-12 US disclosed
US-20180099939-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. 2018-04-12 US disclosed
US-20180099939-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. 2018-04-12 US disclosed
WO-2018057973-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2018-03-29 WO disclosed
WO-2018057973-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2018-03-29 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 (3 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-11149011-B2 Compounds and methods for IDO and TDO modulation, and indications therefor IDO1, TDO2, IDO2 ADORA1 312/4885PDK4 915/4885GRM5 1433/4885
US-20180099939-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION AND INDICATIONS THEREFOR IDO1, TDO2, IDO2 ADORA1 160/4885PDK4 799/4885GRM5 1765/4885
US-20190300487-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION, AND INDICATIONS THEREFOR IDO1, TDO2, IDO2 ADORA1 312/4885PDK4 915/4885GRM5 1433/4885

“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.