SCHEMBL22200640

SCHEMBL22200640

CN(C1COC1)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.44
GAA P10253 2/20 0.43
KDM1A O60341 1/20 0.42
MAOB P27338 1/20 0.42
CTSK P43235 2/20 0.42
EPHX1 P07099 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
DRD2 P14416 3/20 0.38
EPHX2 P34913 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
CYP2C9 P11712 1/20 0.36
HSD11B1 P28845 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL22200605 0.92 BTK (0.50) BTKGAAKDM1AMAOBCTSK
SCHEMBL626875 0.83 BTK (0.50) BTKGAAKDM1AMAOBCTSK
SCHEMBL626874 0.83 BTK (0.50) BTKGAAKDM1AMAOBCTSK
SCHEMBL4590525 0.83 BTK (0.50) BTKGAAKDM1AMAOBCTSK
SCHEMBL28621935 0.82 BTK (0.53) BTKGAAKDM1AMAOBCTSK
SCHEMBL28073206 0.82 BTK (0.53) BTKGAAKDM1AMAOBCTSK
SCHEMBL22200637 0.81 BTK (0.41) BTKGAAKDM1AMAOBCTSK
SCHEMBL22191787 0.81 BTK (0.41) BTKGAAKDM1AMAOBCTSK
SCHEMBL10343938 0.80 BTK (0.61) BTKGAAKDM1AMAOBCTSK
SCHEMBL3702152 0.80 BTK (0.61) BTKGAAKDM1AMAOBCTSK

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-20230047209-A1 PYRIDO-PYRIMIDINONE AND PTERIDINONE COMPOUNDS AND METHODS OF USE PARAZA PHARMA, INC. (CA) 2023-02-16 US disclosed
WO-2020142612-A1 PYRIDO-PYRIMIDINONE AND PTERIDINONE COMPOUNDS AS INHIBITORS OF ENDORIBONUCLEASE INOSITOL REQUIRING ENZYME I (IRE I ALPHA) FOR THE TREATMENT OF CANCER DISEASES. GENENTECH, INC. (US) 2020-07-09 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-20230047209-A1 PYRIDO-PYRIMIDINONE AND PTERIDINONE COMPOUNDS AND METHODS OF USE TYMP, TYMS, DPYD BTK 1775/4885GAA 2654/4885KDM1A 2560/4885

“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.