SCHEMBL145682

SCHEMBL145682

CCCc1nn(C)c2c(=O)[nH]c(-c3cc(C(=O)N4CCN(C)CC4)ccc3OCC)nc12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 19/20 0.77
PDE6C P51160 3/20 0.77
PDE3B Q13370 2/20 0.69
PDE3A Q14432 2/20 0.69
PDE1A P54750 2/20 0.69
PDE1B Q01064 2/20 0.69
PDE1C Q14123 2/20 0.69
ABCC4 O15439 2/20 0.69
PDE2A O00408 1/20 0.69
ABCC5 O15440 1/20 0.69
PDE6D O43924 1/20 0.69
PDE8A O60658 1/20 0.69
PDE9A O76083 1/20 0.69
ABCB11 O95342 1/20 0.69
CYP3A4 P08684 1/20 0.69
HTR1A P08908 1/20 0.69
PDE6A P16499 1/20 0.69
PDE6G P18545 1/20 0.69
PDE4A P27815 1/20 0.69
ADORA2A P29274 1/20 0.69

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
SCHEMBL29707546 1.00 PDE5A (0.77) PDE5APDE6CPDE3BPDE3APDE1A
SCHEMBL25013643 0.94 PDE5A (0.75) PDE5APDE6CPDE3BPDE3APDE1A
SCHEMBL31174347 0.94 PDE5A (0.75) PDE5APDE6CPDE3BPDE3APDE1A
SCHEMBL28416630 0.93 PDE5A (0.76) PDE5APDE6CPDE3BPDE3APDE1A
SCHEMBL28476705 0.92 PDE5A (0.72) PDE5APDE6CPDE3BPDE3APDE1A
SCHEMBL30199753 0.89 PDE5A (0.85) PDE5APDE6CPDE3BPDE3APDE1A
SCHEMBL25013469 0.89 PDE5A (0.85) PDE5APDE6CPDE3BPDE3APDE1A
SCHEMBL7960838 0.87 PDE5A (0.86) PDE5APDE6CPDE1APDE1BPDE1C
SCHEMBL7961020 0.87 PDE5A (1.00) PDE5APDE6CPDE1APDE1BPDE1C
SCHEMBL18714952 0.86 PDE5A (0.85) PDE5APDE6CPDE3BPDE3APDE1A

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 105 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111732593-A Piperazine oxide derivative and composition, preparation method and application thereof 黄泳华 2020-10-02 CN claimed
CN-111297868-A Use of a composition comprising a heterocyclic compound for the manufacture of a medicament for the treatment of phosphodiesterase mediated diseases 黄泳华 2020-06-19 CN claimed
EP-1418896-A2 ADMINISTRATION OF PHOSPHODIESTERASE INHIBITORS FOR THE TREATMENT OF PREMATURE EJACULATION Vivus, Inc. (US) 2004-05-19 EP claimed
US-20030144296-A1 Daily treatment for erectile dysfunction using a PDE5 inhibitor LILLY ICOS LLC 2003-07-31 US claimed
US-20030055070-A1 Phosphodiesterase type 5 (PDE5) inhibitors for the treatment of selective serotonin reuptake inhibitor (SSR) induced sexual dysfunction HARRISON WILMA (US) 2003-03-20 US claimed
US-20030027824-A1 Pyrazolopyrimidinones for the treatment of female sexual dysfunction ELLIS PETER (GB) 2003-02-06 US claimed
WO-2003000343-A2 ADMINISTRATION OF PHOSPHODIESTERASE INHIBITORS FOR THE TREATMENT OF PREMATURE EJACULATION VIVUS, INC. (US) 2003-01-03 WO claimed
US-6492371-B2 ADMINISTERING THERAPEUTICALLY EFFECTIVE AMOUNT OF A COMPOUND THAT INHIBITS CGMP-SPECIFIC PHOSPHODIESTERASE (PDE5) FOR THERAPY OF PARKINSON'S DISEASE ROYLANCE H H (US) 2002-12-10 US claimed
US-6469016-B1 VAGINAL, VULVAR AND/OR URETHRAL ADMINISTRATION OF A PHARMACEUTICAL FORMULATION CONTAINING A VASOACTIVE AGENT TO INCREASE VAGINAL LUBRICATION VIVUS, INC. 2002-10-22 US claimed
US-6469012-B1 POTENT, SELECTIVE INHIBITORS OF CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASES LEAD TO ELEVATED CGMP LEVELS PFIZER INC 2002-10-22 US claimed
US-20010053780-A1 Daily treatment for erectile dysfunction using a PDE5 inhibitor LILLY ICOS LLC, A DELAWARE CORPORATION 2001-12-20 US claimed
US-6225315-B1 ADMINISTERING A CGMP PDE INHIBITOR. PFIZER INC 2001-05-01 US claimed
EP-1022026-A2 Pharmaceutical compositions for treating nitrate-induced tolerance Pfizer Limited (GB) 2000-07-26 EP claimed
EP-0702555-B1 PYRAZOLOPYRIMIDINONES FOR THE TREATMENT OF IMPOTENCE PFIZER LTD (GB) 1998-03-11 EP claimed
EP-0526004-B1 Pyrazolopyrimidinone antianginal agents PFIZER LTD (GB) 1997-10-08 EP claimed
EP-0526004-A1 Pyrazolopyrimidinone antianginal agents Pfizer Limited (GB) 1993-02-03 EP claimed
CN-111732593-A Piperazine oxide derivative and composition, preparation method and application thereof 黄泳华 2020-10-02 CN disclosed
CN-111297868-A Use of a composition comprising a heterocyclic compound for the manufacture of a medicament for the treatment of phosphodiesterase mediated diseases 黄泳华 2020-06-19 CN disclosed
US-5272147-A Pyrazolopyrimidinone antianginal agents PFIZER INC. (US) 1993-12-21 US disclosed
EP-0526004-A1 Pyrazolopyrimidinone antianginal agents Pfizer Limited (GB) 1993-02-03 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 (4 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-20030027824-A1 Pyrazolopyrimidinones for the treatment of female sexual dysfunction FSHR, GNRHR, LHCGR PDE5A 393/4885PDE6C 521/4885PDE3B 308/4885
US-20030144296-A1 Daily treatment for erectile dysfunction using a PDE5 inhibitor PDE5A, PDE3A, PDE2A PDE5A 1/4885PDE6C 18/4885PDE3B 4/4885
US-20010053780-A1 Daily treatment for erectile dysfunction using a PDE5 inhibitor PDE5A, PDE3A, PDE2A PDE5A 1/4885PDE6C 16/4885PDE3B 4/4885
US-20030055070-A1 Phosphodiesterase type 5 (PDE5) inhibitors for the treatment of selective serotonin reuptake inhibitor (SSR) induced sexual dysfunction PDE5A, HTR5A, PDE3A PDE5A 1/4885PDE6C 37/4885PDE3B 5/4885

“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.