SCHEMBL23573229

SCHEMBL23573229

O=C(O)N[C@@H]1CCN(c2cn[nH]c(=O)c2)C1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SCD5 Q86SK9 1/20 0.38
▸ PAK1 Q13153 5/20 0.38
▸ SMPD3 Q9NY59 2/20 0.37
▸ OPRM1 P35372 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ OGFRL1 Q5TC84 1/20 0.36
▸ AKT1 P31749 2/20 0.36
▸ MTNR1A P48039 1/20 0.36
▸ MTNR1B P49286 1/20 0.36
▸ CCNC P24863 1/20 0.35
▸ CDK8 P49336 1/20 0.35
▸ DYRK3 O43781 1/20 0.35
▸ PIM3 Q86V86 1/20 0.35
▸ SRPK1 Q96SB4 1/20 0.35
▸ CSNK1G1 Q9HCP0 1/20 0.35
▸ USP30 Q70CQ3 1/20 0.35
▸ HRH4 Q9H3N8 2/20 0.34
▸ JAK3 P52333 2/20 0.34
▸ NAMPT P43490 1/20 0.34

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
SCHEMBL23573230 1.00 SCD5 (0.38) SCD5PAK1SMPD3OPRM1OPRK1
SCHEMBL23490426 0.83 PIM1 (0.47) PIM3JAK3
SCHEMBL15286551 0.76 CHRNB2 (0.52) SCD5SMPD3MTNR1AMTNR1BCCNC
SCHEMBL23573461 0.76 SMPD3 (0.41) PAK1SMPD3AKT1MTNR1AMTNR1B
SCHEMBL23573457 0.76 SMPD3 (0.41) PAK1SMPD3AKT1MTNR1AMTNR1B
SCHEMBL23387374 0.75 CHRNB2 (0.51) SCD5SMPD3OPRK1HRH4
SCHEMBL23387377 0.75 CHRNB2 (0.51) SCD5SMPD3OPRK1HRH4
SCHEMBL23573454 0.75 POLB (0.53) —
SCHEMBL23573537 0.75 TRPC5 (0.48) PAK1SMPD3OPRM1OPRK1OGFRL1
SCHEMBL23462547 0.75 POLB (0.53) —

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 1 patent. 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

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 SCD5 2210/4885PAK1 3188/4885SMPD3 226/4885

“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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