SCHEMBL21402089

SCHEMBL21402089

CC(C)(C1CCN(C(=O)C2CCOCC2)CC1)C(O)c1cc(Cl)cc2[nH]ncc12

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 9/20 0.39
▸ TLR9 Q9NR96 3/20 0.36
▸ TLR8 Q9NR97 3/20 0.36
▸ TLR7 Q9NYK1 3/20 0.36
▸ PIK3CD O00329 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ MAPT P10636 1/20 0.34

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
SCHEMBL21407499 0.93 CNR1 (0.35) —
SCHEMBL21402070 0.92 IDE (0.35) CNR2
SCHEMBL21402066 0.88 TLR9 (0.38) CNR2TLR9TLR8TLR7
SCHEMBL21402040 0.88 CNR2 (0.40) CNR2
SCHEMBL20002267 0.87 IDO1 (0.36) —
SCHEMBL21407513 0.87 IDO1 (0.35) —
SCHEMBL20002269 0.87 MAPK11 (0.35) —
SCHEMBL21402051 0.86 OGA (0.37) CNR2
SCHEMBL21407501 0.86 OGA (0.37) CNR2
SCHEMBL21407498 0.86 OGA (0.37) CNR2

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 CNR2 240/4885TLR9 1505/4885TLR8 1128/4885
US-20190300487-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION, AND INDICATIONS THEREFOR IDO1, TDO2, IDO2 CNR2 240/4885TLR9 1505/4885TLR8 1128/4885

“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.

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