SCHEMBL21402040

SCHEMBL21402040

CC(C)(C1CCN(C(=O)NC2CCOCC2)CC1)C(O)c1cc(Cl)cc2[nH]ncc12

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 4/20 0.40
▸ LMNA P02545 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ CNR1 P21554 1/20 0.34
▸ OGA O60502 1/20 0.34
▸ PAK1 Q13153 2/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ CSNK1E P49674 1/20 0.33
▸ ROCK2 O75116 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
SCHEMBL21407498 0.97 OGA (0.37) CNR2LMNAL3MBTL1CNR1OGA
SCHEMBL21402051 0.97 OGA (0.37) CNR2LMNAL3MBTL1CNR1OGA
SCHEMBL21407501 0.97 OGA (0.37) CNR2LMNAL3MBTL1CNR1OGA
SCHEMBL21402044 0.94 LMNA (0.38) CNR2LMNAL3MBTL1CNR1PAK1
SCHEMBL21407464 0.92 LMNA (0.41) CNR2LMNAL3MBTL1CNR1CYP3A4
SCHEMBL21402052 0.89 DYRK1A (0.35) CNR2LMNAL3MBTL1EPHX2CNR1
SCHEMBL21402089 0.88 CNR2 (0.39) CNR2
SCHEMBL21407473 0.87 LMNA (0.35) CNR2LMNAL3MBTL1CNR1PAK1
SCHEMBL21402047 0.87 ROCK2 (0.34) CNR2LMNAL3MBTL1CNR1PAK1
SCHEMBL20002058 0.87 IDO1 (0.35) PAK1ROCK2CYP3A4

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 CNR2 240/4885LMNA 4474/4885L3MBTL1 2734/4885
US-20190300487-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION, AND INDICATIONS THEREFOR IDO1, TDO2, IDO2 CNR2 240/4885LMNA 4474/4885L3MBTL1 2734/4885

“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.

Send feedback