SCHEMBL28813437

SCHEMBL28813437

Cc1cn(C(=O)OC(C)(C)C)cc1C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
BCHE P06276 1/20 0.40
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GPR119 Q8TDV5 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
FAAH O00519 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35
ESR2 Q92731 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
SCHEMBL29952053 0.85 KMT2A (0.35) KMT2AMEN1BCHEUSP2SMN1; SMN2
SCHEMBL15252478 0.83 BCHE (0.40) KMT2AMEN1BCHEUSP2SMN1; SMN2
SCHEMBL21541706 0.80 BUB1 (0.37) KMT2AMEN1BCHEGPR119L3MBTL1
SCHEMBL27927848 0.79 USP2 (0.39) KMT2AMEN1BCHEUSP2SMN1; SMN2
SCHEMBL15252551 0.79 PDE4B (0.38) KMT2AMEN1BCHEUSP2SMN1; SMN2
SCHEMBL8288797 0.79 BCHE (0.38) KMT2AMEN1BCHEUSP2SMN1; SMN2
SCHEMBL13559889 0.79 BCHE (0.41) KMT2AMEN1BCHEUSP2SMN1; SMN2
SCHEMBL5184141 0.78 BCHE (0.47) KMT2AMEN1BCHEGPR119L3MBTL1
SCHEMBL23727854 0.77 MEN1 (0.41) KMT2AMEN1BCHEGPR119FAAH
SCHEMBL11911366 0.76 GPR119 (0.39) KMT2AMEN1BCHEUSP2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230109801-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CNS DISORDERS BLUE OAK PHARMACEUTICALS, INC. 2023-04-13 US disclosed
EP-4084795-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CNS DISORDERS Blue Oak Pharmaceuticals, Inc. (US) 2022-11-09 EP disclosed
CN-114929228-A Compounds and compositions for treating CNS disorders 布鲁奥科制药有限公司 2022-08-19 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 (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-20230109801-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CNS DISORDERS PMP22, CHAT, ACHE KMT2A 1869/4885MEN1 933/4885BCHE 49/4885

“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.