SCHEMBL146830

SCHEMBL146830

CCCOc1ccc(C(=O)CN2CCOCC2)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1

nearest known ligand 0.90

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.90
PDE6C P51160 2/20 0.90
HDAC1 Q13547 4/20 0.57
HDAC6 Q9UBN7 4/20 0.57
HDAC2 Q92769 3/20 0.57
HDAC3 O15379 1/20 0.55
NCOR2 Q9Y618 1/20 0.55

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
SCHEMBL29611957 1.00 PDE5A (0.90) PDE5APDE6CHDAC1HDAC6HDAC2
SCHEMBL147337 0.95 PDE5A (1.00) PDE5APDE6CHDAC1HDAC6HDAC2
SCHEMBL18069561 0.92 PDE5A (0.77) PDE5APDE6CHDAC1HDAC6HDAC2
SCHEMBL7959160 0.92 PDE5A (0.77) PDE5APDE6CHDAC1HDAC6HDAC2
SCHEMBL5964550 0.88 PDE5A (0.70) PDE5APDE6CHDAC1HDAC6HDAC2
SCHEMBL7965731 0.88 PDE5A (0.84) PDE5APDE6CHDAC1HDAC6HDAC2
SCHEMBL25013469 0.87 PDE5A (0.85) PDE5APDE6CHDAC1HDAC6HDAC2
SCHEMBL29357402 0.87 PDE5A (0.85) PDE5APDE6CHDAC1HDAC6HDAC2
SCHEMBL7964961 0.87 PDE5A (0.85) PDE5APDE6CHDAC1HDAC6HDAC2
SCHEMBL30199753 0.87 PDE5A (0.85) PDE5APDE6CHDAC1HDAC6HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150320739-A1 Pharmaceutical Compositions for the Treatment of Sexual Disorders II BAUSCH HEALTH IRELAND LIMITED (F/K/A/ VALEANT PHARMACEUTICALS IRELAND LIMITED) (IE) 2015-11-12 US claimed
US-20130203766-A1 Pharmaceutical Compositions for the Treatment of Sexual Disorders II SPROUT PHARMACEUTICALS, INC. (US) 2013-08-08 US claimed
US-20110105519-A1 Pharmaceutical Compositions for the Treatment of Sexual Disorders II SPROUT PHARMACEUTICALS, INC. 2011-05-05 US claimed
US-20100267736-A1 METHODS AND COMPOSITIONS TO ENHANCE THE EFFICACY OF PHOSPHODIESTERASE INHIBITORS THOMAS THOMAS N 2010-10-21 US claimed
US-20100267735-A1 METHODS AND COMPOSITIONS TO ENHANCE THE EFFICACY OF PHOSPHODIESTERASE INHIBITORS THOMAS THOMAS N 2010-10-21 US claimed
US-7737147-B2 Methods and compositions to enhance the efficacy of phosphodiesterase inhibitors THOMAS THOMAS NADACKAL 2010-06-15 US claimed
US-20080103155-A1 Pharmaceutical compositions for the treatment of sexual disorders II SPROUT PHARMACEUTICALS, INC. 2008-05-01 US claimed
US-20080051408-A1 Use of a Pde 5 Inhibitor for Treating and Preventing Hypopigmentary Disorders SWITCH BIOTECH, LLC 2008-02-28 US claimed
EP-1858554-A2 NEW PHARMACEUTICAL COMPOSITIONS BASED ON ANTICHOLINERGICS AND PDE 5-INHIBITORS Boehringer Ingelheim International GmbH (DE) 2007-11-28 EP claimed
EP-1759700-A1 Use of a PDE5 inhibitor for treating and preventing hypopigmentary disorders Switch Biotech Aktiengesellschaft (DE) 2007-03-07 EP claimed
US-20020004498-A1 Transmucosal administration of phosphodiesterase inhibitors for the treatment of erectile dysfunction DOHERTY PAUL C (US) 2002-01-10 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
WO-2001070211-A2 L-ARGININE AND PHOSPHODIESTERASE (PDE) INHIBITOR SYNERGISM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2001-09-27 WO claimed
WO-2001041807-A2 TRANSMUCOSAL COMPOSITION CONTAINING A PHOSPHODIESTERASE INHIBITORS FOR THE TREATMENT OF ERECTILE DYSFUNCTION VIVUS, INC. (US) 2001-06-14 WO 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
US-6037346-A Local administration of phosphodiesterase inhibitors for the treatment of erectile dysfunction VIVUS, INC. (US) 2000-03-14 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20080103155-A1 Pharmaceutical compositions for the treatment of sexual disorders II FLNB, FLNA, FGB PDE5A 27/4885PDE6C 166/4885HDAC1 4868/4885
US-20020004498-A1 Transmucosal administration of phosphodiesterase inhibitors for the treatment of erectile dysfunction PDE3A, PDE5A, PDE3B PDE5A 2/4885PDE6C 22/4885HDAC1 2453/4885
US-20010053780-A1 Daily treatment for erectile dysfunction using a PDE5 inhibitor PDE5A, PDE3A, PDE2A PDE5A 1/4885PDE6C 16/4885HDAC1 1617/4885
US-20130203766-A1 Pharmaceutical Compositions for the Treatment of Sexual Disorders II FLNB, FLNA, FGB PDE5A 27/4885PDE6C 166/4885HDAC1 4868/4885
US-20110105519-A1 Pharmaceutical Compositions for the Treatment of Sexual Disorders II FLNB, FLNA, FGB PDE5A 27/4885PDE6C 166/4885HDAC1 4868/4885
US-20080051408-A1 Use of a Pde 5 Inhibitor for Treating and Preventing Hypopigmentary Disorders PDE5A, PDE2A, PDE3A PDE5A 1/4885PDE6C 8/4885HDAC1 171/4885
US-20150320739-A1 Pharmaceutical Compositions for the Treatment of Sexual Disorders II FLNB, FLNA, FGB PDE5A 27/4885PDE6C 166/4885HDAC1 4868/4885

“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.