SCHEMBL23490329

SCHEMBL23490329

CC(C)(C)OC(=O)N1CCC(NC(=O)O[C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ EPHX1 P07099 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ CNR1 P21554 2/20 0.39
▸ FPR3 P25089 1/20 0.39
▸ FPR2 P25090 1/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ IDO1 P14902 1/20 0.38
▸ TDO2 P48775 1/20 0.38
▸ GPR119 Q8TDV5 2/20 0.38
▸ USP30 Q70CQ3 2/20 0.38
▸ NPBWR1 P48145 1/20 0.38
▸ MCHR1 Q99705 1/20 0.38

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
SCHEMBL23490486 0.92 DRD2 (0.44) POLBALDH1A1
SCHEMBL23490104 0.90 POLB (0.40) POLBALDH1A1
SCHEMBL23490093 0.89 ALDH1A1 (0.39) POLBALDH1A1L3MBTL1
SCHEMBL23490003 0.89 ALDH1A1 (0.39) POLBALDH1A1L3MBTL1
SCHEMBL23490330 0.89 POLB (0.42) POLBALDH1A1
SCHEMBL23489898 0.89 ALDH1A1 (0.47) POLBALDH1A1L3MBTL1MAPT
SCHEMBL23489839 0.88 EPHX1 (0.50) POLBALDH1A1L3MBTL1EPHX1NPC1
SCHEMBL23573386 0.88 POLB (0.43) POLBALDH1A1
SCHEMBL23573389 0.88 POLB (0.43) POLBALDH1A1
SCHEMBL23573308 0.88 POLB (0.48) POLBALDH1A1

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 POLB 1763/4885ALDH1A1 216/4885L3MBTL1 3541/4885

“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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