SCHEMBL20002123

SCHEMBL20002123

CC(C)(C1CCN(C(=O)N[C@H]2C[C@H](O)C2)CC1)[C@H](O)c1cc(Cl)cc2cn[nH]c12

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CD38 P28907 2/20 0.37
▸ CALCA P06881 12/20 0.35
▸ ROCK2 O75116 3/20 0.33
▸ CYP3A4 P08684 3/20 0.33
▸ TDO2 P48775 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ L3MBTL1 Q9Y468 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
SCHEMBL20002015 0.95 CALCA (0.36) CD38CALCAROCK2CYP3A4TDO2
SCHEMBL20042318 0.93 CD38 (0.38) CD38CALCAROCK2CYP3A4LMNA
SCHEMBL20002241 0.93 CD38 (0.38) CD38CALCAROCK2CYP3A4LMNA
SCHEMBL20002546 0.91 LMNA (0.41) CALCACYP3A4LMNAL3MBTL1
SCHEMBL20001797 0.91 LMNA (0.39) CD38CALCACYP3A4LMNAL3MBTL1
SCHEMBL20001854 0.91 LMNA (0.39) CD38CALCACYP3A4LMNAL3MBTL1
SCHEMBL20002611 0.90 CD38 (0.36) CD38CALCAROCK2CYP3A4LMNA
SCHEMBL20002675 0.90 CD38 (0.36) CD38CALCAROCK2CYP3A4LMNA
SCHEMBL20002349 0.90 CALCA (0.37) CD38CALCALMNAL3MBTL1
SCHEMBL20002012 0.89 OGA (0.37) CD38CALCAROCK2CYP3A4

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 CD38 951/4885CALCA 3586/4885ROCK2 2250/4885

“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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