SCHEMBL20126643

SCHEMBL20126643

C[C@@H](O)C(NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(CC(=O)N[C@H](C(N)=O)[C@@H](C)O)C2=O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.48
GRIN2C Q14957 1/20 0.48
CTSL P07711 3/20 0.35
CTSK P43235 2/20 0.35
CTSB P07858 1/20 0.35
NPC1L1 Q9UHC9 2/20 0.30
CTSS P25774 1/20 0.30
F2 P00734 1/20 0.30
F10 P00742 1/20 0.30
PRSS1 P07477 1/20 0.30
TSHR P16473 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
SCHEMBL19134426 1.00 GRIN2B (0.48) GRIN2BGRIN2CCTSLCTSKCTSB
SCHEMBL19129086 1.00 GRIN2B (0.48) GRIN2BGRIN2CCTSLCTSKCTSB
SCHEMBL15937106 1.00 GRIN2B (0.48) GRIN2BGRIN2CCTSLCTSKCTSB
SCHEMBL19134413 0.89 GRIN2B (0.61) GRIN2BGRIN2CTSHR
SCHEMBL17359174 0.89 GRIN2B (0.61) GRIN2BGRIN2CTSHR
SCHEMBL17351873 0.89 GRIN2B (0.61) GRIN2BGRIN2CTSHR
SCHEMBL15937099 0.86 GRIN2B (0.41) GRIN2BGRIN2C
SCHEMBL17359175 0.86 GRIN2B (0.41) GRIN2BGRIN2C
SCHEMBL15937149 0.84 GRIN2B (0.40) GRIN2BGRIN2C
SCHEMBL15937078 0.84 GRIN2B (0.40) GRIN2BGRIN2C

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-20180127430-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2018-05-10 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-20180127430-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A GRIN2B 5/4885GRIN2C 4/4885CTSL 3751/4885

“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.