SCHEMBL4977449

SCHEMBL4977449

COC(OC)C1CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.83

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PREP P48147 5/20 0.83
ACE2 Q9BYF1 3/20 0.55
NPSR1 Q6W5P4 1/20 0.53
ALDH1A1 P00352 1/20 0.53
CTRB1 P17538 1/20 0.52
TSHR P16473 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KMT2A Q03164 1/20 0.50
TP53 P04637 1/20 0.50

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
SCHEMBL6696041 1.00 PREP (0.83) PREPACE2NPSR1ALDH1A1CTRB1
SCHEMBL7268391 0.91 PREP (1.00) PREPNPSR1ALDH1A1CTRB1TSHR
SCHEMBL7269041 0.91 PREP (1.00) PREPNPSR1ALDH1A1CTRB1TSHR
SCHEMBL16419544 0.89 PREP (0.67) PREPACE2NPSR1ALDH1A1CTRB1
SCHEMBL13532966 0.87 PREP (0.65) PREPACE2NPSR1CTRB1TSHR
SCHEMBL8272821 0.87 PREP (0.65) PREPACE2NPSR1CTRB1TSHR
SCHEMBL9873735 0.86 PREP (0.64) PREPACE2NPSR1CTRB1TSHR
Hydrochloric Acid SCHEMBL2437118 0.86 PREP (0.64) PREPACE2NPSR1CTRB1TSHR
SCHEMBL7836712 0.86 PREP (0.64) PREPACE2NPSR1CTRB1TSHR
SCHEMBL19258607 0.86 PREP (0.63) PREPACE2NPSR1CTRB1TSHR

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 2783/4885ACE2 1082/4885NPSR1 559/4885
US-20040142930-A1 Cyclic compounds PDE3B, PDE4A, PDE5A PREP 2912/4885ACE2 1378/4885NPSR1 571/4885
US-20080027037-A1 Cyclic compounds PDE4A, PDE4B, PDE3B PREP 3175/4885ACE2 2020/4885NPSR1 253/4885

“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.