SCHEMBL21402066

SCHEMBL21402066

CC(C)(C1CCN(C(=O)CC2CCOCC2)CC1)C(O)c1cc(Cl)cc2[nH]ncc12

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TLR9 Q9NR96 2/20 0.38
▸ TLR8 Q9NR97 2/20 0.38
▸ TLR7 Q9NYK1 2/20 0.38
▸ NAMPT P43490 5/20 0.34
▸ IDO1 P14902 2/20 0.34
▸ TDO2 P48775 2/20 0.34
▸ BTK Q06187 1/20 0.34
▸ CDC7 O00311 1/20 0.33
▸ FNTA P49354 1/20 0.33
▸ FNTB P49356 1/20 0.33
▸ ENPP2 Q13822 1/20 0.33
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 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
SCHEMBL20002451 0.94 IDO1 (0.36) IDO1TDO2BTKFNTAFNTB
SCHEMBL20002003 0.89 IDO1 (0.34) IDO1TDO2BTKFNTAFNTB
SCHEMBL21402087 0.89 MAPK11 (0.36) IDO1TDO2BTKCNR1
SCHEMBL21402085 0.89 MAPK11 (0.36) IDO1TDO2BTKCNR1
SCHEMBL21407497 0.89 MAPK11 (0.36) IDO1TDO2BTKCNR1
SCHEMBL20002464 0.88 TLR9 (0.38) TLR9TLR8TLR7NAMPTBTK
SCHEMBL21402089 0.88 CNR2 (0.39) TLR9TLR8TLR7CNR2
SCHEMBL20042345 0.87 EPHX2 (0.38) IDO1TDO2BTK
SCHEMBL20002503 0.86 TLR9 (0.36) TLR9TLR8TLR7NAMPTTDO2
SCHEMBL20001785 0.86 TLR9 (0.36) TLR9TLR8TLR7NAMPTTDO2

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 TLR9 1505/4885TLR8 1128/4885TLR7 1110/4885
US-20190300487-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION, AND INDICATIONS THEREFOR IDO1, TDO2, IDO2 TLR9 1505/4885TLR8 1128/4885TLR7 1110/4885

“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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