SCHEMBL31754098

SCHEMBL31754098

CC1CCC(NC(=O)O[C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TRPC5 Q9UL62 4/20 0.47
▸ POLB P06746 4/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ TIPARP Q7Z3E1 8/20 0.38
▸ KMT2A Q03164 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ BLM P54132 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
SCHEMBL23489990 1.00 TRPC5 (0.47) TRPC5POLBALDH1A1TIPARPKMT2A
SCHEMBL23489993 1.00 TRPC5 (0.47) TRPC5POLBALDH1A1TIPARPKMT2A
SCHEMBL23573308 0.95 POLB (0.48) TRPC5POLBALDH1A1TIPARP
SCHEMBL23490328 0.95 POLB (0.48) TRPC5POLBALDH1A1TIPARP
SCHEMBL23608268 0.93 POLB (0.45) TRPC5POLBALDH1A1TIPARP
SCHEMBL23489797 0.93 POLB (0.45) TRPC5POLBALDH1A1TIPARP
SCHEMBL23489891 0.92 POLB (0.44) TRPC5POLBALDH1A1TIPARP
SCHEMBL23608169 0.92 POLB (0.44) TRPC5POLBALDH1A1TIPARP
SCHEMBL23490378 0.92 POLB (0.44) TRPC5POLBALDH1A1TIPARP
SCHEMBL23608318 0.92 POLB (0.45) TRPC5POLBALDH1A1TIPARP

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-12509444-B2 Compounds and methods for CD73 modulation and indications therefor PLEXXIKON INC. (US) 2025-12-30 — — 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-12509444-B2 Compounds and methods for CD73 modulation and indications therefor ENTPD5, ADORA1, ADORA2A TRPC5 517/4885POLB 2540/4885ALDH1A1 114/4885

“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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