SCHEMBL19853461

SCHEMBL19853461

CC(OCc1ccccc1)C(N)C(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.55
SLC1A2 P43004 2/20 0.55
SLC1A1 P43005 2/20 0.55
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
ALDH1A1 P00352 4/20 0.51
SLC15A1 P46059 1/20 0.50
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MMP9 P14780 2/20 0.45
MMP8 P22894 2/20 0.45
LTA4H P09960 2/20 0.45
LAP3 P28838 1/20 0.45

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
SCHEMBL5196444 1.00 SLC1A3 (0.55) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL19853299 1.00 SLC1A3 (0.55) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL5196443 1.00 SLC1A3 (0.55) SLC1A3SLC1A2SLC1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL19614462 0.98 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL19614467 0.98 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL19614463 0.98 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1KMT2AMEN1
Oxalic Acid SCHEMBL29400639 0.97 SLC1A3 (0.53) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL20170560 0.89 SLC1A1 (0.48) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL5196487 0.89 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL1631290 0.89 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11028095-B2 Spiro-lactam and bis-spiro-lactam NMDA receptor modulators and uses thereof APTINYX INC. (US) 2021-06-08 US disclosed
US-20200181159-A1 SPIRO-LACTAM AND BIS-SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2020-06-11 US disclosed
WO-2018026792-A1 SPIRO-LACTAM AND BIS-SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF APTINYX INC. (US) 2018-02-08 WO disclosed
CN-101098852-A Glycogen phosphorylase inhibitor compounds and pharmaceutical compositions thereof SMITHKLINE BEECHAM CORP (US) 2008-01-02 CN 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-20200181159-A1 SPIRO-LACTAM AND BIS-SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN2C SLC1A3 166/4885SLC1A2 70/4885SLC1A1 92/4885
US-11028095-B2 Spiro-lactam and bis-spiro-lactam NMDA receptor modulators and uses thereof GRIN1, GRIN2A, GRIN2C SLC1A3 166/4885SLC1A2 70/4885SLC1A1 92/4885

“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.