SCHEMBL20002112

SCHEMBL20002112

CC(C)(C1CCN(C(=O)N[C@H]2CCOC2)CC1)[C@H](O)c1cc(Cl)cc2cn[nH]c12

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ OGA O60502 1/20 0.37
▸ CNR2 P34972 2/20 0.36
▸ CALCA P06881 9/20 0.35
▸ HPGDS O60760 1/20 0.35
▸ CSNK1E P49674 1/20 0.34
▸ CD38 P28907 2/20 0.34
▸ ROCK2 O75116 2/20 0.33
▸ CYP3A4 P08684 2/20 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
SCHEMBL20042333 1.00 OGA (0.37) OGACNR2CALCAHPGDSCSNK1E
SCHEMBL20002012 1.00 OGA (0.37) OGACNR2CALCAHPGDSCSNK1E
SCHEMBL20002350 0.97 CNR2 (0.40) OGACNR2CALCACD38
SCHEMBL20002675 0.96 CD38 (0.36) OGACALCACD38ROCK2CYP3A4
SCHEMBL20002241 0.92 CD38 (0.38) CNR2CALCACD38ROCK2CYP3A4
SCHEMBL20042318 0.92 CD38 (0.38) CNR2CALCACD38ROCK2CYP3A4
SCHEMBL20001797 0.91 LMNA (0.39) CNR2CALCACD38CYP3A4
SCHEMBL20002546 0.91 LMNA (0.41) CNR2CALCACYP3A4
SCHEMBL20001854 0.91 LMNA (0.39) CNR2CALCACD38CYP3A4
SCHEMBL20002611 0.89 CD38 (0.36) CNR2CALCACD38ROCK2CYP3A4

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 OGA 1381/4885CNR2 324/4885CALCA 3586/4885

“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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