SCHEMBL25837389

SCHEMBL25837389

CN1CCC2(CCCCN2C)C1=O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 2/20 0.40
▸ GRIN2A Q12879 2/20 0.40
▸ BRD4 O60885 1/20 0.32
▸ BRD2 P25440 1/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ OPRD1 P41143 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ OPRL1 P41146 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
SCHEMBL12658975 0.94 GRIN1 (0.38) GRIN1GRIN2ABRD4BRD2OPRM1
SCHEMBL27046535 0.87 GRIN1 (0.41) GRIN1GRIN2ABRD4BRD2OPRM1
SCHEMBL17207551 0.85 GRIN1 (0.38) GRIN1GRIN2ABRD4BRD2
SCHEMBL12658967 0.77 GRIN1 (0.33) GRIN1GRIN2ABRD4BRD2
SCHEMBL24112202 0.71 GRIN2B (0.53) —
SCHEMBL13460109 0.71 GRIN1 (0.40) GRIN1GRIN2ABRD4BRD2
SCHEMBL15187451 0.71 BRD4 (0.32) GRIN1GRIN2ABRD4BRD2
SCHEMBL30310678 0.70 GRIN2B (0.39) —
SCHEMBL26456980 0.70 GRIN1 (0.42) GRIN1GRIN2ABRD4BRD2
SCHEMBL21238807 0.69 GRIN1 (0.33) GRIN1GRIN2A

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-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 — — 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-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV GRIN1 4639/4885GRIN2A 4615/4885BRD4 3186/4885

“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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