SCHEMBL23375009

SCHEMBL23375009

CC(C)(C)CNCC1CCC(=O)N1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 20/20 0.39
PDCD1LG2 Q9BQ51 13/20 0.39
PDCD1 Q15116 7/20 0.39

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
SCHEMBL24004302 1.00 CD274 (0.39) CD274PDCD1LG2PDCD1
SCHEMBL23557637 1.00 CD274 (0.39) CD274PDCD1LG2PDCD1
SCHEMBL24004310 0.90 CD274 (0.39) CD274PDCD1LG2PDCD1
SCHEMBL24004296 0.90 CD274 (0.39) CD274PDCD1LG2PDCD1
SCHEMBL1778218 0.83 CD274 (0.46) CD274PDCD1LG2PDCD1
SCHEMBL21673405 0.80 CD274 (0.43) CD274PDCD1LG2PDCD1
SCHEMBL14269728 0.80 CD274 (0.43) CD274PDCD1LG2PDCD1
SCHEMBL21290617 0.80 CD274 (0.43) CD274PDCD1LG2PDCD1
SCHEMBL23557991 0.79 CD274 (0.41) CD274PDCD1LG2PDCD1
SCHEMBL24004288 0.79 CD274 (0.36) CD274PDCD1LG2PDCD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210347785-A1 PREPARATION AND APPLICATION OF AROMATIC COMPOUND HAVING IMMUNOREGULATORY FUNCTION SHANGHAI ENNOVABIO PHARMACEUTICALS CO., LTD. (CN) 2021-11-11 US disclosed
WO-2021093817-A1 IMMUNOMODULATORY COMPOUNDS, COMPOSITION AND APPLICATION THEREOF 杭州和正医药有限公司 2021-05-20 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-20210347785-A1 PREPARATION AND APPLICATION OF AROMATIC COMPOUND HAVING IMMUNOREGULATORY FUNCTION CD274, PDCD1, PDCD1LG2 CD274 1/4885PDCD1LG2 3/4885PDCD1 2/4885

“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.