SCHEMBL22200637

SCHEMBL22200637

CN(CC1COC1)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.41
DRD2 P14416 6/20 0.40
GAA P10253 2/20 0.40
KDM1A O60341 1/20 0.39
MAOB P27338 1/20 0.39
EPHX1 P07099 1/20 0.39
CTSK P43235 2/20 0.39
DRD3 P35462 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KCNA3 P22001 1/20 0.35
REN P00797 1/20 0.35

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
SCHEMBL22191787 1.00 BTK (0.41) BTKDRD2GAAKDM1AMAOB
SCHEMBL13874220 0.91 DRD2 (0.45) BTKDRD2GAAKDM1AMAOB
SCHEMBL4151538 0.91 DRD2 (0.45) BTKDRD2GAAKDM1AMAOB
SCHEMBL30135717 0.85 BTK (0.39) BTKDRD2GAAKDM1AMAOB
SCHEMBL25024396 0.85 BTK (0.39) BTKDRD2GAAKDM1AMAOB
SCHEMBL22200808 0.83 BTK (0.40) BTKDRD2GAAKDM1AMAOB
SCHEMBL22191307 0.82 BTK (0.46) BTKDRD2GAAKDM1AMAOB
SCHEMBL22200809 0.82 BTK (0.46) BTKDRD2GAAKDM1AMAOB
SCHEMBL22200640 0.81 BTK (0.44) BTKDRD2GAAKDM1AMAOB
SCHEMBL26191735 0.80 KDM1A (0.49) BTKDRD2GAAKDM1AMAOB

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 1775/4885DRD2 2933/4885GAA 2654/4885

“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.