SCHEMBL20002269

SCHEMBL20002269

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK11 Q15759 2/20 0.35
▸ MAPK14 Q16539 2/20 0.35
▸ IDO1 P14902 2/20 0.35
▸ TDO2 P48775 2/20 0.35
▸ PRKAB2 O43741 1/20 0.35
▸ PRKAG1 P54619 1/20 0.35
▸ PRKAA2 P54646 1/20 0.35
▸ PRKAA1 Q13131 1/20 0.35
▸ PRKAG3 Q9UGI9 1/20 0.35
▸ PRKAG2 Q9UGJ0 1/20 0.35
▸ PRKAB1 Q9Y478 1/20 0.35
▸ ROCK2 O75116 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP11B1 P15538 2/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ SPR P35270 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 0.92 IDO1 (0.35) IDO1TDO2ROCK2CYP3A4SPR
SCHEMBL20042337 0.91 SPR (0.35) IDO1TDO2ROCK2CYP3A4SPR
SCHEMBL21407499 0.91 CNR1 (0.35) IDO1TDO2ROCK2CYP3A4
SCHEMBL21402070 0.89 IDE (0.35) IDO1TDO2ROCK2CYP3A4
SCHEMBL20042345 0.89 EPHX2 (0.38) IDO1TDO2CYP3A4CYP11B1CYP11B2
SCHEMBL21407497 0.89 MAPK11 (0.36) MAPK11MAPK14IDO1TDO2ROCK2
SCHEMBL21402085 0.89 MAPK11 (0.36) MAPK11MAPK14IDO1TDO2ROCK2
SCHEMBL21402087 0.89 MAPK11 (0.36) MAPK11MAPK14IDO1TDO2ROCK2
SCHEMBL20002058 0.89 IDO1 (0.35) IDO1TDO2ROCK2CYP3A4
SCHEMBL21402073 0.88 IDO1 (0.46) IDO1TDO2CYP3A4

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 MAPK11 677/4885MAPK14 3295/4885IDO1 1/4885

“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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