SCHEMBL21225697

SCHEMBL21225697

CC(C)(C)OC(=O)N1CCCC12CC=CCN(Cc1ccccc1)C2=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC8 Q9BY41 1/20 0.39
TP53 P04637 1/20 0.37
NPC1L1 Q9UHC9 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2D6 P10635 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
RIPK1 Q13546 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPFFR1 Q9GZQ6 1/20 0.35

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
SCHEMBL21225371 0.90 GRIN2B (0.41) GRIN2BGRIN2CKMT2AMEN1HDAC1
SCHEMBL1948718 0.87 KMT2A (0.52) GRIN2BGRIN2CKMT2AMEN1OPRD1
SCHEMBL14719073 0.86 GRIN2B (0.50) GRIN2BGRIN2CKMT2AMEN1OPRD1
SCHEMBL14085917 0.81 HDAC1 (0.45) GRIN2BGRIN2CKMT2AMEN1OPRD1
SCHEMBL21225326 0.81 GRIN2B (0.52) GRIN2BGRIN2CKMT2AMEN1
SCHEMBL21224551 0.78 GRIN2B (0.48) GRIN2BGRIN2COPRD1OPRK1NPC1L1
SCHEMBL22087518 0.76 GRIN2B (0.48) GRIN2BGRIN2CHDAC1HDAC6HDAC8
SCHEMBL29557107 0.74 GRIN2B (0.51) GRIN2BGRIN2CALDH1A1PDE4APDE4B
SCHEMBL21224682 0.73 RIPK1 (0.44) KMT2AMEN1OPRD1OPRK1HDAC1
SCHEMBL14282652 0.72 GRIN2B (0.50) GRIN2BGRIN2CNPC1L1

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 5 patents. 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
US-20210047324-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2021-02-18 US disclosed
EP-3746442-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF Aptinyx Inc. (US) 2020-12-09 EP disclosed
WO-2019152678-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF APTINYX INC. (US) 2019-08-08 WO disclosed
WO-2019152678-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 (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 GRIN2B 3/4885GRIN2C 5/4885KMT2A 1439/4885

“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.