SCHEMBL22200808

SCHEMBL22200808

CN(CC1CCO1)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.40
KDM1A O60341 1/20 0.39
MAOB P27338 1/20 0.39
EPHX1 P07099 1/20 0.39
CTSK P43235 2/20 0.38
DRD2 P14416 4/20 0.37
GAA P10253 2/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HCRTR2 O43614 1/20 0.34
KCNA3 P22001 1/20 0.34
DRD3 P35462 1/20 0.34
REN P00797 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
SCHEMBL4151538 0.84 DRD2 (0.45) BTKKDM1AMAOBEPHX1CTSK
SCHEMBL13874220 0.84 DRD2 (0.45) BTKKDM1AMAOBEPHX1CTSK
SCHEMBL22200637 0.83 BTK (0.41) BTKKDM1AMAOBEPHX1CTSK
SCHEMBL22191787 0.83 BTK (0.41) BTKKDM1AMAOBEPHX1CTSK
SCHEMBL22191307 0.81 BTK (0.46) BTKKDM1AMAOBEPHX1CTSK
SCHEMBL22200809 0.81 BTK (0.46) BTKKDM1AMAOBEPHX1CTSK
SCHEMBL10102977 0.79 BTK (0.43) BTKKDM1AMAOBEPHX1CTSK
SCHEMBL25024396 0.79 BTK (0.39) BTKKDM1AMAOBEPHX1CTSK
SCHEMBL30135717 0.79 BTK (0.39) BTKKDM1AMAOBEPHX1CTSK
SCHEMBL7581840 0.77 EPHX1 (0.44) BTKKDM1AMAOBEPHX1CTSK

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 1775/4885KDM1A 2560/4885MAOB 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.