SCHEMBL20042337

SCHEMBL20042337

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

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SPR P35270 1/20 0.35
▸ IDO1 P14902 2/20 0.35
▸ TDO2 P48775 2/20 0.35
▸ KCNH2 Q12809 1/20 0.34
▸ ROCK2 O75116 4/20 0.33
▸ CYP3A4 P08684 3/20 0.33
▸ PAK1 Q13153 1/20 0.33
▸ BTK Q06187 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
SCHEMBL21407513 0.91 IDO1 (0.35) SPRIDO1TDO2ROCK2CYP3A4
SCHEMBL20002269 0.91 MAPK11 (0.35) SPRIDO1TDO2ROCK2CYP3A4
SCHEMBL21407499 0.90 CNR1 (0.35) IDO1TDO2ROCK2CYP3A4
SCHEMBL21402049 0.89 IDO1 (0.36) IDO1TDO2ROCK2CYP3A4PAK1
SCHEMBL20002058 0.88 IDO1 (0.35) IDO1TDO2ROCK2CYP3A4PAK1
SCHEMBL21402087 0.88 MAPK11 (0.36) IDO1TDO2ROCK2CYP3A4BTK
SCHEMBL21402085 0.88 MAPK11 (0.36) IDO1TDO2ROCK2CYP3A4BTK
SCHEMBL21407497 0.88 MAPK11 (0.36) IDO1TDO2ROCK2CYP3A4BTK
SCHEMBL21402070 0.88 IDE (0.35) IDO1TDO2ROCK2CYP3A4BTK
SCHEMBL20042345 0.88 EPHX2 (0.38) IDO1TDO2CYP3A4BTK

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 4 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-20190300487-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2019-10-03 — — 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

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 SPR 58/4885IDO1 1/4885TDO2 2/4885
US-20180099939-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION AND INDICATIONS THEREFOR IDO1, TDO2, IDO2 SPR 48/4885IDO1 1/4885TDO2 2/4885
US-20190300487-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION, AND INDICATIONS THEREFOR IDO1, TDO2, IDO2 SPR 58/4885IDO1 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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