SCHEMBL23009557

SCHEMBL23009557

O=C1NCCCCCC12CCCCCN2

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FKBP5 Q13451 1/20 0.34
CRBN Q96SW2 1/20 0.34
GRIN1 Q05586 2/20 0.33
GRIN2A Q12879 2/20 0.33
CCR2 P41597 1/20 0.32
OR51E2 Q9H255 1/20 0.31
GRIN2B Q13224 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
PDE7A Q13946 1/20 0.31
POLB P06746 2/20 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
SCHEMBL23009556 1.00 FKBP5 (0.34) FKBP5CRBNGRIN1GRIN2ACCR2
SCHEMBL23009678 1.00 FKBP5 (0.34) FKBP5CRBNGRIN1GRIN2ACCR2
SCHEMBL23009680 0.98 GRIN1 (0.36) FKBP5CRBNGRIN1GRIN2ACCR2
SCHEMBL23009660 0.98 GRIN1 (0.36) FKBP5CRBNGRIN1GRIN2ACCR2
SCHEMBL21225681 0.98 FKBP5 (0.36) FKBP5CRBNGRIN1GRIN2AOR51E2
SCHEMBL21225657 0.96 FKBP5 (0.34) FKBP5CRBNGRIN1GRIN2AOR51E2
SCHEMBL22975111 0.96 FKBP5 (0.34) FKBP5CRBNGRIN1GRIN2AOR51E2
SCHEMBL21225285 0.96 FKBP5 (0.34) FKBP5CRBNGRIN1GRIN2AOR51E2
SCHEMBL21225659 0.96 FKBP5 (0.34) FKBP5CRBNGRIN1GRIN2AOR51E2
SCHEMBL21238730 0.94 GRIN1 (0.33) GRIN1GRIN2AGRIN2BALDH1A1MAPK1

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-20210047324-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2021-02-18 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-20210047324-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN2B FKBP5 362/4885CRBN 3123/4885GRIN1 1/4885

“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.