SCHEMBL23489997

SCHEMBL23489997

O=C(N[C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)OC1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 4/20 0.49
▸ ALDH1A1 P00352 3/20 0.48
▸ SMPD3 Q9NY59 1/20 0.41
▸ TIPARP Q7Z3E1 11/20 0.40
▸ EPHX1 P07099 1/20 0.39
▸ TRPC5 Q9UL62 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
SCHEMBL23490301 0.99 POLB (0.50) POLBALDH1A1SMPD3TIPARPEPHX1
SCHEMBL23608681 0.99 POLB (0.50) POLBALDH1A1SMPD3TIPARPEPHX1
SCHEMBL23490504 0.93 POLB (0.47) POLBALDH1A1TIPARPTRPC5
SCHEMBL23490503 0.93 POLB (0.47) POLBALDH1A1TIPARPTRPC5
SCHEMBL23573422 0.90 POLB (0.49) POLBALDH1A1TIPARPEPHX1TRPC5
SCHEMBL23490296 0.90 POLB (0.49) POLBALDH1A1TIPARPEPHX1TRPC5
SCHEMBL23490295 0.90 POLB (0.49) POLBALDH1A1TIPARPEPHX1TRPC5
SCHEMBL23489983 0.89 POLB (0.50) POLBALDH1A1TIPARPEPHX1TRPC5
SCHEMBL23490463 0.89 POLB (0.50) POLBALDH1A1TIPARPEPHX1TRPC5
SCHEMBL23573176 0.89 POLB (0.50) POLBALDH1A1TIPARPEPHX1TRPC5

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-12509444-B2 Compounds and methods for CD73 modulation and indications therefor PLEXXIKON INC. (US) 2025-12-30 — — US disclosed
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 (2 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 216/4885SMPD3 226/4885
US-12509444-B2 Compounds and methods for CD73 modulation and indications therefor ENTPD5, ADORA1, ADORA2A POLB 2540/4885ALDH1A1 114/4885SMPD3 849/4885

“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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