SCHEMBL21402068

SCHEMBL21402068

CC(C)(C1CCN(C(=O)CC(F)(F)F)CC1)C(O)c1cc(Cl)cc2[nH]ncc12

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 3/20 0.42
▸ CNR2 P34972 2/20 0.40
▸ CYP3A4 P08684 1/20 0.35
▸ TLR8 Q9NR97 1/20 0.35
▸ TLR7 Q9NYK1 1/20 0.35
▸ IDO1 P14902 2/20 0.35
▸ TDO2 P48775 2/20 0.35
▸ SPR P35270 1/20 0.34
▸ RBP4 P02753 1/20 0.34
▸ NAMPT P43490 1/20 0.33
▸ BTK Q06187 1/20 0.32
▸ JAK2 O60674 2/20 0.32
▸ JAK1 P23458 2/20 0.32
▸ JAK3 P52333 2/20 0.32
▸ TYK2 P29597 1/20 0.32

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
SCHEMBL21402087 0.90 MAPK11 (0.36) CNR1CYP3A4IDO1TDO2BTK
SCHEMBL21407497 0.90 MAPK11 (0.36) CNR1CYP3A4IDO1TDO2BTK
SCHEMBL21402085 0.90 MAPK11 (0.36) CNR1CYP3A4IDO1TDO2BTK
SCHEMBL20042345 0.90 EPHX2 (0.38) CYP3A4IDO1TDO2BTK
SCHEMBL21402090 0.89 IDO1 (0.36) IDO1TDO2
SCHEMBL21402078 0.89 JAK1 (0.35) CNR1CNR2IDO1TDO2SPR
SCHEMBL20002451 0.88 IDO1 (0.36) IDO1TDO2BTK
SCHEMBL21402065 0.87 MAPK11 (0.41) CNR1CYP3A4TLR8TLR7IDO1
SCHEMBL21402088 0.87 JAK3 (0.39) TLR8TLR7IDO1TDO2JAK2
SCHEMBL21407513 0.87 IDO1 (0.35) CYP3A4IDO1TDO2SPRRBP4

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-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
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

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-11149011-B2 Compounds and methods for IDO and TDO modulation, and indications therefor IDO1, TDO2, IDO2 CNR1 354/4885CNR2 240/4885CYP3A4 200/4885
US-20190300487-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION, AND INDICATIONS THEREFOR IDO1, TDO2, IDO2 CNR1 354/4885CNR2 240/4885CYP3A4 200/4885

“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.

Send feedback