SCHEMBL22200809

SCHEMBL22200809

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.46
EPHX1 P07099 1/20 0.43
MAOB P27338 2/20 0.43
KDM1A O60341 1/20 0.43
CTSK P43235 2/20 0.43
GAA P10253 2/20 0.41
DRD2 P14416 4/20 0.41
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KCNA3 P22001 1/20 0.38
DRD3 P35462 1/20 0.38
MAOA P21397 1/20 0.38
REN P00797 1/20 0.38
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37

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
SCHEMBL22191307 1.00 BTK (0.46) BTKEPHX1MAOBKDM1ACTSK
SCHEMBL10102977 0.88 BTK (0.43) BTKEPHX1MAOBKDM1ACTSK
SCHEMBL22087121 0.86 BTK (0.47) BTKEPHX1MAOBKDM1ACTSK
SCHEMBL25957489 0.86 BTK (0.47) BTKEPHX1MAOBKDM1ACTSK
SCHEMBL4151538 0.85 DRD2 (0.45) BTKEPHX1MAOBKDM1ACTSK
SCHEMBL13874220 0.85 DRD2 (0.45) BTKEPHX1MAOBKDM1ACTSK
SCHEMBL7581831 0.84 EPHX1 (0.44) BTKEPHX1MAOBKDM1ACTSK
SCHEMBL7581840 0.84 EPHX1 (0.44) BTKEPHX1MAOBKDM1ACTSK
SCHEMBL22200605 0.84 BTK (0.50) BTKEPHX1MAOBKDM1ACTSK
SCHEMBL626874 0.84 BTK (0.50) BTKEPHX1MAOBKDM1ACTSK

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 1775/4885EPHX1 3216/4885MAOB 830/4885

“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.