SCHEMBL21225565

SCHEMBL21225565

CC(C)C(=O)N1CCC2(CCCNC2=O)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.35
OTUD7B Q6GQQ9 1/20 0.35
CYP1A2 P05177 1/20 0.34
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
LTA4H P09960 1/20 0.33
PDE7B Q9NP56 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
CHRNB3 Q05901 1/20 0.33
CHRNA6 Q15825 1/20 0.33
SPR P35270 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MTNR1A P48039 2/20 0.31
MTNR1B P49286 2/20 0.31
PARP1 P09874 1/20 0.31
NAMPT P43490 1/20 0.31

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
SCHEMBL18347966 0.91 OTUD7B (0.43) CRBNOTUD7BOPRD1OPRK1CHRNB2
SCHEMBL21233508 0.83 JAK2 (0.40) OTUD7BCYP1A2LTA4HGRIN1GRIN2A
SCHEMBL2728185 0.81 OTUD7B (0.38) CRBNOTUD7BLTA4HSPRGRIN1
SCHEMBL19852843 0.79 OTUD7B (0.42) CRBNOTUD7BCYP1A2CHRNB2CHRNA3
SCHEMBL22958823 0.78 OTUD7B (0.34) CRBNOTUD7BCHRNB2CHRNA3CHRNA4
SCHEMBL9963244 0.78 OTUD7B (0.38) OTUD7BOPRD1OPRK1LTA4HGRIN1
SCHEMBL21224568 0.76 OTUD7B (0.37) CRBNOTUD7BLTA4HSPRGRIN1
SCHEMBL24339013 0.75 OTUD7B (0.38) CRBNOTUD7BSPRCCNCCDK8
SCHEMBL2020246 0.75 CCNC (0.44) CRBNCCNCCDK8HPGD
SCHEMBL2605421 0.75 OTUD7B (0.41) OTUD7BLTA4HGRIN1GRIN2ACCNC

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112204031-B Spiro-lactam NMDA receptor modulators and uses thereof 元羿生物科技(香港)有限公司 2024-05-24 CN disclosed
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
EP-3746447-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF Aptinyx Inc. (US) 2020-12-09 EP disclosed
WO-2019152687-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF APTINYX INC. (US) 2019-08-08 WO disclosed
WO-2019152687-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF APTINYX INC. (US) 2019-08-08 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 (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 3145/4885CYP1A2 3961/4885
US-20210040095-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN2B CRBN 3025/4885OTUD7B 3145/4885CYP1A2 3961/4885

“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.