SCHEMBL26426355

SCHEMBL26426355

C[C@@H](O)[C@H](N)C(=O)N1CCN(C(=O)OC(C)(C)C)CC12CCC2=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
HTT P42858 2/20 0.37
ATM Q13315 1/20 0.37
CYP11B2 P19099 1/20 0.37
IMPDH2 P12268 1/20 0.35
TSHR P16473 1/20 0.35
F2RL1 P55085 1/20 0.34
DDB1 Q16531 2/20 0.34
CRBN Q96SW2 2/20 0.34
MAP4K4 O95819 1/20 0.34
MMP13 P45452 1/20 0.33
ADAM17 P78536 1/20 0.33
ADAMTS5 Q9UNA0 1/20 0.33
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33
ACACB O00763 2/20 0.33
CKS1B P61024 1/20 0.33
SKP1 P63208 1/20 0.33
SKP2 Q13309 1/20 0.33

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
SCHEMBL19839165 0.84 GRIN2B (0.39) GRIN2BGRIN2CHTTATMCYP11B2
SCHEMBL19839164 0.84 GRIN2B (0.39) GRIN2BGRIN2CHTTATMCYP11B2
SCHEMBL19839162 0.84 GRIN2B (0.39) GRIN2BGRIN2CHTTATMCYP11B2
SCHEMBL26426348 0.84 GRIN2B (0.42) GRIN2BGRIN2CCYP11B2DDB1CRBN
SCHEMBL26426365 0.79 DPP4 (0.32)
SCHEMBL19501059 0.75 DPP4 (0.39) GRIN2BGRIN2C
SCHEMBL28641488 0.74 HTT (0.52) HTTATMTSHRNPC1ALDH1A1
SCHEMBL19851180 0.74 HTT (0.52) HTTATMTSHRNPC1ALDH1A1
SCHEMBL28641490 0.74 HTT (0.52) HTTATMTSHRNPC1ALDH1A1
SCHEMBL19851169 0.72 GRIN2B (0.65) GRIN2BGRIN2CHTTATMTSHR

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-20230131402-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF APTINYX INC (US) 2023-04-27 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-20230131402-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A GRIN2B 5/4885GRIN2C 4/4885HTT 1769/4885

“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.