SCHEMBL4976475

SCHEMBL4976475

COc1ccc(CNc2cc(N3CCCC3CO)ccc2C(=O)NCc2ncccn2)cc1Cl

nearest known ligand 0.72

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 10/20 0.72

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
SCHEMBL4979749 0.90 PDE5A (0.70) PDE5A
SCHEMBL4979753 0.90 PDE5A (0.70) PDE5A
SCHEMBL4980108 0.89 PDE5A (0.76) PDE5A
SCHEMBL4975373 0.86 PDE5A (0.80) PDE5A
SCHEMBL4976297 0.86 PDE5A (0.54) PDE5A
SCHEMBL4976358 0.86 PDE5A (0.54) PDE5A
Avanafil SCHEMBL118799 0.84 PDE5A (1.00) PDE5A
Avanafil SCHEMBL30335524 0.84 PDE5A (1.00) PDE5A
Avanafil SCHEMBL16377474 0.84 PDE5A (1.00) PDE5A
Avanafil SCHEMBL29372265 0.84 PDE5A (1.00) PDE5A

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
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
CN-1657523-A Cyclic compounds TANABE SEIYAKU CO (JP) 2005-08-24 CN 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
CN-1440393-A cyclic compound TANABE SEIYAKU CO (JP) 2003-09-03 CN 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 PDE5A 2/4885
US-20040142930-A1 Cyclic compounds PDE3B, PDE4A, PDE5A PDE5A 3/4885
US-20080027037-A1 Cyclic compounds PDE4A, PDE4B, PDE3B PDE5A 4/4885

“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.