SCHEMBL20042345

SCHEMBL20042345

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

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 3/20 0.38
▸ IDO1 P14902 2/20 0.36
▸ TDO2 P48775 2/20 0.36
▸ PIK3CD O00329 2/20 0.33
▸ BTK Q06187 2/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ CYP3A4 P08684 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
SCHEMBL21402090 0.93 IDO1 (0.36) IDO1TDO2
SCHEMBL21402085 0.92 MAPK11 (0.36) IDO1TDO2BTKCYP3A4
SCHEMBL21402087 0.92 MAPK11 (0.36) IDO1TDO2BTKCYP3A4
SCHEMBL21407497 0.92 MAPK11 (0.36) IDO1TDO2BTKCYP3A4
SCHEMBL20002451 0.91 IDO1 (0.36) IDO1TDO2BTK
SCHEMBL21407499 0.90 CNR1 (0.35) IDO1TDO2CYP3A4
SCHEMBL21402068 0.90 CNR1 (0.42) IDO1TDO2BTKCYP3A4
SCHEMBL21402088 0.90 JAK3 (0.39) IDO1TDO2
SCHEMBL21402065 0.90 MAPK11 (0.41) EPHX2IDO1TDO2CYP3A4
SCHEMBL20002089 0.90 EPHX2 (0.37) EPHX2IDO1TDO2PIK3CDBTK

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 2 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

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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