SCHEMBL4977665

SCHEMBL4977665

COC(=O)c1c(NCCc2ccc(OC)c(OC)c2)nc(N2CCCC2CO)nc1N1CCC(O)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 7/20 0.49
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TP53 P04637 1/20 0.42
CCR4 P51679 1/20 0.41
NOS2 P35228 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
SCHEMBL4977497 0.85 PDE5A (0.65) PDE5A
SCHEMBL4977831 0.77 PDE5A (0.56) PDE5A
SCHEMBL8486417 0.74 PDE5A (0.63) PDE5A
SCHEMBL8499502 0.72 PDE5A (0.64) PDE5A
SCHEMBL4977816 0.70 PDE5A (0.64) PDE5A
SCHEMBL27571952 0.69 PDE5A (0.54) PDE5A
SCHEMBL2846271 0.68 CDK1 (0.51) PDE5ACCR4
SCHEMBL4973880 0.67 PDE5A (0.60) PDE5A
SCHEMBL4975590 0.67 PDE5A (0.60) PDE5A
SCHEMBL8507917 0.67 PDE5A (0.54) 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 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 PDE5A 2/4885LMNA 2152/4885POLB 3135/4885
US-20040142930-A1 Cyclic compounds PDE3B, PDE4A, PDE5A PDE5A 3/4885LMNA 2015/4885POLB 2942/4885
US-20080027037-A1 Cyclic compounds PDE4A, PDE4B, PDE3B PDE5A 4/4885LMNA 2931/4885POLB 3436/4885

“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.