SCHEMBL29393000

SCHEMBL29393000

COc1cc(NCc2cccc(-c3ccccc3)c2C)ncc1CN[C@H](CO)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 20/20 1.00
PDCD1 Q15116 19/20 1.00

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
SCHEMBL25288623 1.00 CD274 (1.00) CD274PDCD1
SCHEMBL24253025 1.00 CD274 (1.00) CD274PDCD1
SCHEMBL26075249 0.89 CD274 (0.80) CD274PDCD1
SCHEMBL25289256 0.83 PDCD1 (1.00) CD274PDCD1
SCHEMBL29392588 0.83 PDCD1 (1.00) CD274PDCD1
SCHEMBL24253007 0.83 PDCD1 (1.00) CD274PDCD1
SCHEMBL29392608 0.81 CD274 (1.00) CD274PDCD1
SCHEMBL24253023 0.81 CD274 (1.00) CD274PDCD1
SCHEMBL25292377 0.81 CD274 (1.00) CD274PDCD1
SCHEMBL24252544 0.81 PDCD1 (1.00) CD274PDCD1

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-20230303494-A1 BENZYLAMINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF ACADEMY OF MILITARY MEDICAL SCIENCES (CN) 2023-09-28 US claimed
WO-2022033303-A1 BENZYLAMINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 中国人民解放军军事科学院军事医学研究院 2022-02-17 WO claimed

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-20230303494-A1 BENZYLAMINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF CD274, PDCD1, PDCD1LG2 CD274 1/4885PDCD1 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.