SCHEMBL27215966

SCHEMBL27215966

O=C1N[C@@H](CO)CO1.O=C1N[C@@H](COC(=O)N2CC(OCc3ccc(C(F)(F)F)cc3F)C2)CO1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 11/20 0.46
▸ ENPP2 Q13822 3/20 0.38
▸ ATXN2 Q99700 3/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ CACNA1C Q13936 1/20 0.38
▸ SCN5A Q14524 1/20 0.38
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ IDO1 P14902 1/20 0.33
▸ NAAA Q02083 1/20 0.33

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
SCHEMBL27215961 1.00 MGLL (0.46) MGLLENPP2ATXN2KCNH2CACNA1C
SCHEMBL25261715 0.97 MGLL (0.46) MGLLENPP2ATXN2KCNH2CACNA1C
SCHEMBL25254968 0.97 MGLL (0.46) MGLLENPP2ATXN2KCNH2CACNA1C
SCHEMBL27215979 0.84 MGLL (0.42) MGLLENPP2ATXN2CYP11B1CYP11B2
SCHEMBL25254799 0.83 MGLL (0.46) MGLLKCNH2CACNA1CSCN5ACYP11B1
SCHEMBL25297074 0.83 MGLL (0.46) MGLLKCNH2CACNA1CSCN5ACYP11B1
SCHEMBL25290096 0.83 MGLL (0.46) MGLLKCNH2CACNA1CSCN5ACYP11B1
SCHEMBL25256421 0.82 MGLL (0.44) MGLLENPP2ATXN2CYP11B1CYP11B2
SCHEMBL25295070 0.82 MGLL (0.44) MGLLENPP2ATXN2CYP11B1CYP11B2
SCHEMBL25292183 0.82 MGLL (0.44) MGLLENPP2ATXN2CYP11B1CYP11B2

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-11981661-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2024-05-14 — — 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-11981661-B2 Heterocyclic compounds CBR3, BRIX1, CCNY MGLL 996/4885ENPP2 2496/4885ATXN2 1240/4885

“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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