SCHEMBL23490342

SCHEMBL23490342

CC(C)(C)OC(=O)NC1CCC(NC(=O)O[C@@H]2CCN(c3cnn(C4CCCCO4)c(=O)c3Cl)C2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 4/20 0.38
▸ DRD3 P35462 2/20 0.38
▸ JAK3 P52333 1/20 0.37
▸ BTK Q06187 1/20 0.37
▸ OPRM1 P35372 1/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ OGFRL1 Q5TC84 1/20 0.36
▸ CKS1B P61024 1/20 0.36
▸ SKP1 P63208 1/20 0.36
▸ SKP2 Q13309 1/20 0.36
▸ PIM1 P11309 1/20 0.35
▸ PIM3 Q86V86 1/20 0.35
▸ PIM2 Q9P1W9 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ NPBWR1 P48145 1/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ ATR Q13535 3/20 0.32
▸ F10 P00742 1/20 0.32
▸ CACNB4 O00305 1/20 0.32

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
SCHEMBL23462340 0.94 JAK3 (0.35) DRD2DRD3JAK3BTKOPRM1
SCHEMBL23462475 0.93 LMNA (0.40) LMNANPBWR1MCHR1
SCHEMBL23489982 0.93 LMNA (0.40) LMNANPBWR1MCHR1
SCHEMBL23489800 0.91 EPHX1 (0.37) OPRK1LMNAGAARAB9A
SCHEMBL23489791 0.91 EPHX1 (0.37) OPRK1LMNAGAARAB9A
SCHEMBL23490340 0.89 SMYD3 (0.34) LMNARAB9A
SCHEMBL23462554 0.87 L3MBTL1 (0.31) LMNAGAARAB9A
SCHEMBL23462555 0.84 L3MBTL1 (0.31) —
SCHEMBL23462522 0.83 L3MBTL1 (0.30) LMNA
SCHEMBL23573399 0.78 KAT2B (0.46) —

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-20210198239-A1 COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. 2021-07-01 — — US disclosed
WO-2021113625-A1 COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2021-06-10 — — 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-20210198239-A1 COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR ENTPD5, ADORA2A, ENTPD1 DRD2 2393/4885DRD3 2434/4885JAK3 4041/4885

“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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