SCHEMBL1833567

SCHEMBL1833567

COC(=O)C1CN(C(=O)O)CCN1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.41
ANPEP P15144 2/20 0.41
TSHR P16473 2/20 0.36
ALDH1A1 P00352 3/20 0.36
POLB P06746 1/20 0.36
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL25312339 0.85 NR1H2 (0.47) ALDH1A1NR1H2NR1H3SMN1; SMN2
SCHEMBL1536762 0.84 TSHR (0.38) MMP2ANPEPTSHRALDH1A1SLC6A2
SCHEMBL28060561 0.82 NR1H2 (0.53) ALDH1A1NR1H2NR1H3SMN1; SMN2
SCHEMBL318353 0.82 MMP2 (0.47) MMP2ANPEPTSHRALDH1A1POLB
SCHEMBL30686137 0.82 MMP2 (0.47) MMP2ANPEPTSHRALDH1A1POLB
SCHEMBL18952875 0.81 POLB (0.35) TSHRPOLB
SCHEMBL26694944 0.81 POLB (0.35) TSHRPOLB
SCHEMBL21045619 0.81 POLB (0.35) TSHRPOLB
SCHEMBL8402776 0.80 AGTR2 (0.47)
SCHEMBL919018 0.80 AGTR2 (0.47)

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
US-20230131402-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF APTINYX INC (US) 2023-04-27 US disclosed
EP-3768256-A1 PAN-TROPIC ENTRY INHIBITORS Emory University (US) 2021-01-27 EP disclosed
WO-2020081917-A1 ΒETA-CATENIN AND B-CELL LYMPHOMA 9 (BCL9) INHIBITORS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2020-04-23 WO disclosed
WO-2019183133-A1 Pan-Tropic Entry Inhibitors EMORY UNIVERSITY (US) 2019-09-26 WO disclosed
EP-2318408-A2 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2011-05-11 EP disclosed
WO-2010011772-A2 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-01-28 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-20230131402-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A MMP2 2331/4885ANPEP 2421/4885TSHR 1842/4885

“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.