SCHEMBL4977446

SCHEMBL4977446

COCOCC1CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PREP P48147 5/20 0.53
NPSR1 Q6W5P4 1/20 0.51
ACE2 Q9BYF1 2/20 0.50
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TSHR P16473 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
GFER P55789 1/20 0.47

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
SCHEMBL3604619 0.97 FKBP1A (0.51) PREPNPSR1ACE2ALDH1A1
SCHEMBL791439 0.90 PREP (0.57) PREPNPSR1ACE2ALDH1A1TP53
SCHEMBL13994810 0.90 PREP (0.57) PREPNPSR1ACE2ALDH1A1TP53
SCHEMBL13567881 0.86 PREP (0.52) PREPNPSR1ACE2ALDH1A1TP53
SCHEMBL10899658 0.86 PREP (0.51) PREPNPSR1ACE2KMT2ATSHR
SCHEMBL10899666 0.86 PREP (0.51) PREPNPSR1ACE2KMT2ATSHR
SCHEMBL15607552 0.84 ACE2 (0.55) PREPNPSR1ACE2ALDH1A1TSHR
SCHEMBL809534 0.83 PREP (0.57) PREPNPSR1ACE2MEN1KMT2A
SCHEMBL7939228 0.82 PREP (0.52) PREPNPSR1ACE2TSHRL3MBTL1
SCHEMBL6597133 0.82 PREP (0.52) PREPNPSR1ACE2TSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080027037-A1 Cyclic compounds TANABE SEIYAKU CO., LTD. 2008-01-31 US disclosed
US-7273868-B2 Pyrazine derivatives TANABE SEIYAKU CO., LTD. (JP) 2007-09-25 US disclosed
US-7220736-B2 Pyrimidine compounds TANABE SEIYAKU CO., LTD. (JP) 2007-05-22 US disclosed
US-20040142930-A1 Cyclic compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-07-22 US disclosed
US-20030229089-A1 Cyclic compounds TANABE SEIYAKU CO., LTD. (JP) 2003-12-11 US disclosed
EP-1277741-A1 CYCLIC COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2003-01-22 EP 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 (3 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-20030229089-A1 Cyclic compounds PDE3B, PDE5A, PDE9A PREP 2783/4885NPSR1 559/4885ACE2 1082/4885
US-20040142930-A1 Cyclic compounds PDE3B, PDE4A, PDE5A PREP 2912/4885NPSR1 571/4885ACE2 1378/4885
US-20080027037-A1 Cyclic compounds PDE4A, PDE4B, PDE3B PREP 3175/4885NPSR1 253/4885ACE2 2020/4885

“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.