SCHEMBL20002089

SCHEMBL20002089

CCC(=O)N1CCC(C(F)(F)C(O)c2cc(Cl)cc3[nH]ncc23)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 4/20 0.37
▸ IDO1 P14902 2/20 0.36
▸ TDO2 P48775 2/20 0.36
▸ SPR P35270 1/20 0.35
▸ CNR1 P21554 1/20 0.34
▸ TLR9 Q9NR96 1/20 0.34
▸ TLR8 Q9NR97 1/20 0.34
▸ TLR7 Q9NYK1 1/20 0.34
▸ PIK3CD O00329 1/20 0.33
▸ BTK Q06187 1/20 0.33
▸ MAP4K1 Q92918 1/20 0.33
▸ RBP4 P02753 1/20 0.33

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
SCHEMBL20042345 0.90 EPHX2 (0.38) EPHX2IDO1TDO2PIK3CDBTK
SCHEMBL20002483 0.87 SPR (0.35) IDO1TDO2SPRTLR9TLR8
SCHEMBL20042327 0.85 EPHX2 (0.37) EPHX2TDO2CNR1TLR9TLR8
SCHEMBL20001904 0.85 EPHX2 (0.37) EPHX2TDO2CNR1TLR9TLR8
SCHEMBL20002133 0.84 MAPK11 (0.36) SPRCNR1
SCHEMBL20002137 0.84 SYK (0.33) IDO1TDO2CNR1
SCHEMBL20002131 0.84 DRD4 (0.37) SPRCNR1
SCHEMBL21402068 0.83 CNR1 (0.42) IDO1TDO2SPRCNR1TLR8
SCHEMBL21402090 0.83 IDO1 (0.36) IDO1TDO2
SCHEMBL21402087 0.82 MAPK11 (0.36) IDO1TDO2CNR1BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20180099939-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION AND INDICATIONS THEREFOR IDO1, TDO2, IDO2 EPHX2 1553/4885IDO1 1/4885TDO2 2/4885

“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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