SCHEMBL21964076

SCHEMBL21964076

C[C@H]1C[C@H](N(CC(=O)O)C(=O)C(C)(C)C)CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.42
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
USP30 Q70CQ3 2/20 0.34
HSD11B1 P28845 2/20 0.34
TACR1 P25103 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
NAMPT P43490 1/20 0.32
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RORC P51449 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
CHRNB2 P17787 1/20 0.32

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
SCHEMBL22010419 1.00 NR1H2 (0.42) NR1H2DDB1CRBNJAK2JAK1
SCHEMBL22010418 0.88 NR1H2 (0.40) NR1H2DDB1CRBNJAK2JAK1
SCHEMBL24220812 0.88 NR1H2 (0.40) NR1H2DDB1CRBNJAK2JAK1
SCHEMBL21964124 0.82 USP30 (0.47) JAK2JAK1USP30HSD11B1MEN1
SCHEMBL21964052 0.81 MEN1 (0.46) NR1H2DDB1CRBNJAK2JAK1
SCHEMBL21964050 0.81 MEN1 (0.46) NR1H2DDB1CRBNJAK2JAK1
SCHEMBL18154358 0.78 NR1H2 (0.46) NR1H2DDB1CRBNJAK2JAK1
SCHEMBL31570609 0.77 NR1H2 (0.48) NR1H2DDB1CRBNJAK2JAK1
SCHEMBL21964179 0.77 POLB (0.31) ALDH1A1
SCHEMBL21964206 0.76 HPGD (0.47) USP30MEN1ALDH1A1MAPTKMT2A

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-20220023281-A1 HETEROCYCLIC SPIRO-COMPOUNDS AS AM2 RECEPTOR INHIBITORS THE UNIVERSITY OF SHEFFIELD (GB) 2022-01-27 US disclosed
US-20220023281-A1 HETEROCYCLIC SPIRO-COMPOUNDS AS AM2 RECEPTOR INHIBITORS THE UNIVERSITY OF SHEFFIELD (GB) 2022-01-27 US disclosed
EP-3880679-A1 HETEROCYCLIC SPIRO-COMPOUNDS AS AM2 RECEPTOR INHIBITORS The University Of Sheffield (GB) 2021-09-22 EP disclosed
WO-2020099882-A1 HETEROCYCLIC SPIRO-COMPOUNDS AS AM2 RECEPTOR INHIBITORS THE UNIVERSITY OF SHEFFIELD (GB) 2020-05-22 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-20220023281-A1 HETEROCYCLIC SPIRO-COMPOUNDS AS AM2 RECEPTOR INHIBITORS MC2R, AGTR2, AGTR1 NR1H2 90/4885DDB1 2852/4885CRBN 2407/4885

“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.