SCHEMBL24451647

SCHEMBL24451647

COC(=O)[C@@H]1CC2(CN1C(=O)OC(C)(C)C)C(=O)Nc1ccccc12

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 2/20 0.53
▸ NR1H2 P55055 9/20 0.47
▸ NR1H3 Q13133 8/20 0.47
▸ RXRA P19793 7/20 0.47
▸ IMPDH2 P12268 1/20 0.40

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
SCHEMBL25756468 1.00 BACE1 (0.53) BACE1NR1H2NR1H3RXRAIMPDH2
SCHEMBL6523576 1.00 BACE1 (0.53) BACE1NR1H2NR1H3RXRAIMPDH2
SCHEMBL25756467 1.00 BACE1 (0.53) BACE1NR1H2NR1H3RXRAIMPDH2
SCHEMBL29616653 1.00 BACE1 (0.53) BACE1NR1H2NR1H3RXRAIMPDH2
SCHEMBL3724868 1.00 BACE1 (0.53) BACE1NR1H2NR1H3RXRAIMPDH2
SCHEMBL6523965 1.00 BACE1 (0.53) BACE1NR1H2NR1H3RXRAIMPDH2
SCHEMBL3664778 0.89 NR1H2 (0.51) BACE1NR1H2NR1H3RXRA
SCHEMBL25240372 0.89 NR1H2 (0.51) BACE1NR1H2NR1H3RXRA
SCHEMBL6521416 0.89 NR1H2 (0.51) BACE1NR1H2NR1H3RXRA
SCHEMBL26312430 0.89 NR1H2 (0.48) BACE1NR1H2NR1H3RXRA

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-20220162217-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2022-05-26 — — 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-20220162217-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ACE, ACE2, REN BACE1 3833/4885NR1H2 824/4885NR1H3 784/4885

“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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