SCHEMBL696684

SCHEMBL696684

COc1ccc(CN2CCOC[C@H]2C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.59
PDE1B Q01064 3/20 0.56
LTA4H P09960 1/20 0.54
HRH2 P25021 1/20 0.52
PDE1A P54750 2/20 0.47
PDE1C Q14123 2/20 0.47
HRH3 Q9Y5N1 4/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
SIGMAR1 Q99720 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CHRM2 P08172 1/20 0.45
DRD4 P21917 1/20 0.44

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
SCHEMBL1458786 1.00 SMN1; SMN2 (0.59) SMN1; SMN2PDE1BLTA4HHRH2PDE1A
SCHEMBL3509984 1.00 SMN1; SMN2 (0.59) SMN1; SMN2PDE1BLTA4HHRH2PDE1A
SCHEMBL12214 0.83 LTA4H (0.57) PDE1BLTA4HHRH3ALDH1A1
SCHEMBL14960477 0.83 LTA4H (0.57) PDE1BLTA4HHRH3ALDH1A1
SCHEMBL30460552 0.82 LTA4H (0.56) PDE1BLTA4HHRH3ALDH1A1
SCHEMBL30508309 0.82 LTA4H (0.56) SMN1; SMN2PDE1BLTA4HHRH3ALDH1A1
SCHEMBL30308375 0.82 LTA4H (0.56) PDE1BLTA4HHRH3ALDH1A1
SCHEMBL8805178 0.82 LTA4H (0.56) PDE1BLTA4HHRH3ALDH1A1
SCHEMBL1177023 0.82 SIGMAR1 (0.57) SMN1; SMN2ALDH1A1GAAMAPTHPGD
SCHEMBL1177324 0.82 SMN1; SMN2 (0.55) SMN1; SMN2PDE1BALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2013095275-A1 NOVEL HEPATITIS C VIRUS INHIBITORS MEDIVIR AB (SE) 2013-06-27 WO disclosed
EP-2423207-A2 2-(cyclic amino)-pyrimidone derivatives as TPK1 inhibitors Mitsubishi Tanabe Pharma Corporation (JP) 2012-02-29 EP 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
CN-101400668-A 2-(cyclic amino)-pyrimidone derivatives as TPK1 inhibitors MITSUBISHI PHARMA CORP (JP) 2009-04-01 CN disclosed
EP-2001863-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES AS TPK1 INHIBITORS Mitsubishi Tanabe Pharma Corporation (JP) 2008-12-17 EP disclosed
WO-2007119463-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES AS TPK1 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-10-25 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-20090233918-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES MAPT, PRMT1, PSEN1 SMN1; SMN2 819/4885PDE1B 297/4885LTA4H 4304/4885

“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.