SCHEMBL22958822

SCHEMBL22958822

O=C1NCCCCCC12CCNCC2

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 2/20 0.37
OTUD7B Q6GQQ9 1/20 0.36
FKBP5 Q13451 1/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2A Q12879 2/20 0.33
ALDH1A1 P00352 1/20 0.32
NEK2 P51955 1/20 0.31
CCR2 P41597 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GRIN2B Q13224 1/20 0.30
OR51E2 Q9H255 1/20 0.30

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
SCHEMBL29345998 0.98 CRBN (0.36) CRBNOTUD7BFKBP5GRIN1GRIN2A
SCHEMBL21224581 0.98 CRBN (0.38) CRBNOTUD7BFKBP5GRIN1GRIN2A
SCHEMBL23009670 0.96 CRBN (0.35) CRBNOTUD7BFKBP5GRIN1GRIN2A
SCHEMBL23009445 0.94 CRBN (0.36) CRBNOTUD7BFKBP5GRIN1GRIN2A
SCHEMBL2023430 0.91 CRBN (0.39) CRBNOTUD7BFKBP5GRIN1GRIN2A
SCHEMBL6673999 0.91 FKBP5 (0.39) CRBNOTUD7BFKBP5GRIN1GRIN2A
SCHEMBL23009666 0.89 CRBN (0.38) CRBNOTUD7BFKBP5GRIN1GRIN2A
Hydrochloric Acid SCHEMBL2637274 0.89 CRBN (0.38) CRBNOTUD7BFKBP5GRIN1GRIN2A
Hydrochloric Acid SCHEMBL2026185 0.89 CRBN (0.38) CRBNOTUD7BFKBP5GRIN1GRIN2A
SCHEMBL9129408 0.89 CRBN (0.40) CRBNOTUD7BFKBP5GRIN1GRIN2A

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-11578072-B2 Spiro-lactam NMDA receptor modulators and uses thereof APTINYX INC. (US) 2023-02-14 US disclosed
US-20210040095-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2021-02-11 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 (2 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-11578072-B2 Spiro-lactam NMDA receptor modulators and uses thereof GRIN1, GRIN2A, GRIN2B CRBN 3025/4885OTUD7B 3145/4885FKBP5 340/4885
US-20210040095-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN2B CRBN 3025/4885OTUD7B 3145/4885FKBP5 340/4885

“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.