SCHEMBL3835865

SCHEMBL3835865

CCCOc1ccc(C=CC(=O)N2CCOCC2)cc1-c1nc2c(c(C)nn2CCC)c(=O)[nH]1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.58
PDE1A P54750 1/20 0.51
PDE1B Q01064 1/20 0.51
PDE1C Q14123 1/20 0.51

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
SCHEMBL7350274 1.00 PDE5A (0.58) PDE5APDE1APDE1BPDE1C
SCHEMBL5595379 0.87 PDE5A (0.66) PDE5A
SCHEMBL7346033 0.87 PDE5A (0.66) PDE5A
SCHEMBL5595341 0.84 PDE5A (0.61) PDE5A
SCHEMBL7347444 0.84 PDE5A (0.61) PDE5A
SCHEMBL3841327 0.83 PDE5A (0.59) PDE5APDE1APDE1BPDE1C
SCHEMBL3836975 0.80 PDE5A (0.76) PDE5APDE1APDE1BPDE1C
SCHEMBL7795495 0.77 NPC1 (0.48) PDE5A
SCHEMBL3842772 0.77 PDE5A (0.75) PDE5APDE1APDE1BPDE1C
SCHEMBL7348770 0.75 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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1365806-A2 USE OF NO ACTTIVATORS FOR TREATMENT AND PREVENTION OF GASTROINTESTINAL DISORDERS JOHNS HOPKINS UNIVERSITY (US) 2003-12-03 EP claimed
EP-0793498-B1 BICYCLIC HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF IMPOTENCE PFIZER LTD (GB) 2002-12-11 EP claimed
US-20020128171-A1 Methods for prevention and treatment of gastrointestinal disorders NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-09-12 US claimed
WO-2001078781-A2 METHODS FOR PREVENTION AND TREATMENT OF GASTROINTESTINAL DISORDERS JOHNS HOPKINS UNIVERSITY (US) 2001-10-25 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
WO-1993007149-A1 PYRAZOLOPYRIMIDINONE ANTIANGINAL AGENTS PFIZER LIMITED (GB) 1993-04-15 WO claimed
EP-1331950-B1 EX VIVO METHODS AND COMPOSITIONS FOR NUCLEIC ACID DELIVERY UNIV JOHNS HOPKINS (US) 2009-10-14 EP disclosed
US-20070197560-A1 cGMP PDE 5 inhibitors for inhalation in the treatment of sexual dysfunction NAEF RETO 2007-08-23 US disclosed
US-6992070-B2 Methods and compositions for nucleic acid delivery THE JOHNS HOPKINS UNIVERSITY (US) 2006-01-31 US disclosed
US-20050004222-A1 Methods for prevention and treatment of gastrointestinal disorders JOHNS HOPKINS UNIVERSITY 2005-01-06 US disclosed
US-20040214831-A1 cGMP PDE 5 inhibitors for inhalation in the treatment of sexual dysfunction NAEF RETO 2004-10-28 US disclosed
US-6774128-B2 ADMINISTERING TO THE MAMMAL A THERAPEUTICALLY EFFECTIVE AMOUNT OF A COMPOUND THAT INCREASES NITRIC OXIDE (NO) ACTIVITY AS MEASURED IN A STANDARD GASTRIC EMPTYING ASSAY JOHNS HOPKINS UNIVERSITY 2004-08-10 US disclosed
US-20020094326-A1 Methods and compositions for nucleic acid delivery JOHNS HOPKINS UNIVERSITY 2002-07-18 US disclosed
WO-2002030470-A1 METHODS AND COMPOSITIONS FOR NUCLEIC ACID DELIVERY JOHNS HOPKINS UNIVERSITY (US) 2002-04-18 WO disclosed
US-6225315-B1 ADMINISTERING A CGMP PDE INHIBITOR. PFIZER INC 2001-05-01 US disclosed
US-6200980-B1 ADMINISTERING PHENYL PURINONE COMPOUND FOR TREATING PRECANCEROUS LEISONS CELL PATHWAYS, INC. 2001-03-13 US disclosed
US-6100270-A Bicyclic heterocyclic compounds for the treatment of impotence PFIZER INC. (US) 2000-08-08 US disclosed
EP-1022026-A2 Pharmaceutical compositions for treating nitrate-induced tolerance Pfizer Limited (GB) 2000-07-26 EP disclosed
WO-1993007149-A1 PYRAZOLOPYRIMIDINONE ANTIANGINAL AGENTS PFIZER LIMITED (GB) 1993-04-15 WO 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-20050004222-A1 Methods for prevention and treatment of gastrointestinal disorders VIP, GIPR, IAPP PDE5A 302/4885PDE1A 1228/4885PDE1B 1857/4885
US-20020128171-A1 Methods for prevention and treatment of gastrointestinal disorders VIP, GIPR, IAPP PDE5A 302/4885PDE1A 1228/4885PDE1B 1857/4885
US-20020094326-A1 Methods and compositions for nucleic acid delivery TNNC1, TNNI3, TNNT2 PDE5A 2130/4885PDE1A 1991/4885PDE1B 1883/4885

“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.