SCHEMBL23304675

SCHEMBL23304675

C[C@H]1C[C@]2(Cc3cc(NC4CC4)ncc3O2)CN1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 3/20 0.36
▸ CCNE1 P24864 4/20 0.35
▸ CDK2 P24941 4/20 0.35
▸ BRD4 O60885 7/20 0.33
▸ MAPK7 Q13164 7/20 0.33
▸ RORC P51449 5/20 0.33
▸ KCNQ3 O43525 1/20 0.32
▸ KCNQ2 O43526 1/20 0.32
▸ BRD2 P25440 1/20 0.32
▸ EP300 Q09472 1/20 0.32
▸ BRD3 Q15059 1/20 0.32
▸ BRDT Q58F21 1/20 0.32
▸ CREBBP Q92793 1/20 0.32

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
SCHEMBL23317068 0.86 MAPK1 (0.36) CCNE1CDK2RORC
SCHEMBL29758598 0.86 MAPK1 (0.36) CCNE1CDK2RORC
SCHEMBL23304715 0.84 IRAK4 (0.32) —
SCHEMBL23305171 0.84 — —
SCHEMBL23304876 0.84 HPGDS (0.32) —
SCHEMBL30200940 0.84 CCNC (0.30) —
SCHEMBL23304778 0.84 CCNC (0.30) —
SCHEMBL23305557 0.82 ACACB (0.34) —
SCHEMBL23305305 0.82 — —
SCHEMBL23304822 0.81 IRAK4 (0.30) —

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-20230060003-A1 SPIROCYCLIC O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLUCOPYRANOSIDASE INHIBITORS BIOGEN MA INC. 2023-02-23 — — US disclosed
WO-2021086966-A1 SPIROCYCLIC O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLUCOPYRANOSIDASE INHIBITORS BIOGEN MA INC. (US) 2021-05-06 — — 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-20230060003-A1 SPIROCYCLIC O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLUCOPYRANOSIDASE INHIBITORS MAN2A1, MAN2B2, ST6GAL1 HCAR3 3709/4885CCNE1 331/4885CDK2 501/4885

“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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