SCHEMBL697465

SCHEMBL697465

C[C@@H](N[C@@H]1CCCC[C@H]1O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
EPHX1 P07099 2/20 0.47
LMNA P02545 2/20 0.47
RECQL P46063 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
ATM Q13315 1/20 0.44
KCNQ3 O43525 1/20 0.43
KCNQ2 O43526 1/20 0.43
HPGD P15428 2/20 0.41
MAN2A1 Q16706 1/20 0.41
MAN1B1 Q9UKM7 1/20 0.41
KDM1A O60341 1/20 0.41
SLC18A3 Q16572 1/20 0.41
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
RAB9A P51151 1/20 0.40
USP2 O75604 1/20 0.40

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
SCHEMBL697464 1.00 GAA (0.62) GAAL3MBTL1EPHX1LMNARECQL
SCHEMBL6391376 1.00 GAA (0.62) GAAL3MBTL1EPHX1LMNARECQL
SCHEMBL13400158 1.00 GAA (0.62) GAAL3MBTL1EPHX1LMNARECQL
SCHEMBL9017282 1.00 GAA (0.62) GAAL3MBTL1EPHX1LMNARECQL
SCHEMBL9017288 1.00 GAA (0.62) GAAL3MBTL1EPHX1LMNARECQL
SCHEMBL25971734 0.98 GAA (0.60) GAAL3MBTL1EPHX1LMNARECQL
SCHEMBL25971728 0.98 GAA (0.60) GAAL3MBTL1EPHX1LMNARECQL
SCHEMBL25971751 0.98 GAA (0.60) GAAL3MBTL1EPHX1LMNARECQL
SCHEMBL25971748 0.98 GAA (0.60) GAAL3MBTL1EPHX1LMNARECQL
SCHEMBL9739600 0.97 GAA (0.57) GAAL3MBTL1EPHX1LMNARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115491402-A Biosynthesis method based on multi-enzyme cascade reaction 盐城工学院 2022-12-20 CN disclosed
US-8569294-B2 2-(cyclic amino)-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-10-29 US disclosed
US-8569294-B2 2-(cyclic amino)-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-10-29 US disclosed
US-8569294-B2 2-(cyclic amino)-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-10-29 US disclosed
EP-2423207-A2 2-(cyclic amino)-pyrimidone derivatives as TPK1 inhibitors Mitsubishi Tanabe Pharma Corporation (JP) 2012-02-29 EP disclosed
US-20090233918-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-09-17 US disclosed
US-20090233918-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-09-17 US disclosed
US-20090233918-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-09-17 US 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-20090233918-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES MAPT, PRMT1, PSEN1 GAA 3779/4885L3MBTL1 686/4885EPHX1 3873/4885

“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.