SCHEMBL20001797

SCHEMBL20001797

CC(C)(C1CCN(C(=O)NC2CCC2)CC1)C(O)c1cc(Cl)cc2cn[nH]c12

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CNR1 P21554 7/20 0.38
▸ CNR2 P34972 6/20 0.38
▸ CALCA P06881 6/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CD38 P28907 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35

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
SCHEMBL20001854 1.00 LMNA (0.39) LMNAL3MBTL1CNR1CNR2CALCA
SCHEMBL20002546 0.98 LMNA (0.41) LMNAL3MBTL1CNR1CNR2CALCA
SCHEMBL20002241 0.96 CD38 (0.38) LMNAL3MBTL1CNR1CNR2CALCA
SCHEMBL20042318 0.96 CD38 (0.38) LMNAL3MBTL1CNR1CNR2CALCA
SCHEMBL20002611 0.93 CD38 (0.36) LMNAL3MBTL1CNR1CNR2CALCA
SCHEMBL20002349 0.93 CALCA (0.37) LMNAL3MBTL1CNR1CNR2CALCA
SCHEMBL20002350 0.92 CNR2 (0.40) LMNAL3MBTL1CNR2CALCACD38
SCHEMBL20002677 0.91 CALCA (0.34) LMNAL3MBTL1CNR1CNR2CALCA
SCHEMBL20042331 0.91 CD38 (0.36) CNR1CALCACD38CYP3A4
SCHEMBL20002123 0.91 CD38 (0.37) LMNAL3MBTL1CALCACD38CYP3A4

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 LMNA 4252/4885L3MBTL1 2523/4885CNR1 362/4885

“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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