SCHEMBL2853467

SCHEMBL2853467

O=C(/C=C/c1cccc(Cl)c1)N1CCc2c([nH]c3ccccc23)C1c1ccc2c(c1)OCO2

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 17/20 0.68
ABCB1 P08183 1/20 0.56
ABCG2 Q9UNQ0 1/20 0.56
LMNA P02545 1/20 0.51
STAT3 P40763 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
SCHEMBL1326847 0.92 PDE5A (0.68) PDE5AABCB1ABCG2
SCHEMBL1326360 0.92 PDE5A (0.69) PDE5A
SCHEMBL1327016 0.92 PDE5A (0.77) PDE5A
SCHEMBL1327104 0.92 PDE5A (0.77) PDE5A
SCHEMBL1326798 0.92 PDE5A (0.77) PDE5A
SCHEMBL1326119 0.91 PDE5A (0.67) PDE5A
SCHEMBL1327040 0.91 PDE5A (0.64) PDE5AABCB1ABCG2
SCHEMBL1328035 0.91 PDE5A (0.66) PDE5ALMNASTAT3
SCHEMBL1326474 0.91 PDE5A (0.66) PDE5A
SCHEMBL1327163 0.90 PDE5A (0.67) PDE5AABCB1ABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912567-B1 CARBOLINE DERIVATIVES ICOS CORP (US) 2002-04-10 EP claimed
US-6117881-A POTENT AND SELECTIVE INHIBITORS OF CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE SPECIFIC PHOSPHODIESTERASE ICOS CORPORATION (US) 2000-09-12 US claimed
EP-1458679-B1 PYRROLIDINE DERIVATIVES AS PROSTAGLANDIN MODULATORS MERCK SERONO SA (CH) 2010-01-20 EP disclosed
US-7635713-B2 Pyrrolidine derivatives as prostaglandin modulators LABORATOIRES SERONO SA (CH) 2009-12-22 US disclosed
EP-1331950-B1 EX VIVO METHODS AND COMPOSITIONS FOR NUCLEIC ACID DELIVERY UNIV JOHNS HOPKINS (US) 2009-10-14 EP disclosed
US-20080114051-A1 PYRROLIDINE DERIVATIVES AS PROSTAGLANDIN MODULATORS LABORATOIRES SERONO S.A. (CH) 2008-05-15 US disclosed
US-7335680-B2 Pyrrolidine derivatives as prostaglandin modulators LABORATOIRES SERONO SA (CH) 2008-02-26 US disclosed
US-6992070-B2 Methods and compositions for nucleic acid delivery THE JOHNS HOPKINS UNIVERSITY (US) 2006-01-31 US disclosed
US-20050176800-A1 Pyrrolidine derivatives as prostaglandin modulators APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2005-08-11 US disclosed
US-20050004222-A1 Methods for prevention and treatment of gastrointestinal disorders JOHNS HOPKINS UNIVERSITY 2005-01-06 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
EP-0912567-B1 CARBOLINE DERIVATIVES ICOS CORP (US) 2002-04-10 EP disclosed
WO-2001078781-A2 METHODS FOR PREVENTION AND TREATMENT OF GASTROINTESTINAL DISORDERS JOHNS HOPKINS UNIVERSITY (US) 2001-10-25 WO disclosed
US-6306870-B1 PHOSPHODIESTERASE ENZYME INHIBITORS, CARDIOVASCULAR DISORDERS AND SEXUAL DISORDERS ICOS CORPORATION 2001-10-23 US disclosed
US-6117881-A POTENT AND SELECTIVE INHIBITORS OF CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE SPECIFIC PHOSPHODIESTERASE ICOS CORPORATION (US) 2000-09-12 US disclosed
US-6043252-A A POTENT AND SELECTIVE INHIBITORS OF CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE SPECIFIC PHOSPHODIESTERASE (CGMP-SPECIFIC PDE); TREATING CARDIOVASCULAR DISORDERS AND ERECTILE DYSFUNCTION ICOS CORPORATION (US) 2000-03-28 US disclosed
EP-0912567-A1 CARBOLINE DERIVATIVES ICOS CORPORATION (US) 1999-05-06 EP disclosed
WO-1997043287-A1 CARBOLINE DERIVATIVES ICOS CORPORATION (US) 1997-11-20 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 (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-20050004222-A1 Methods for prevention and treatment of gastrointestinal disorders VIP, GIPR, IAPP PDE5A 302/4885ABCB1 4397/4885ABCG2 4877/4885
US-20020094326-A1 Methods and compositions for nucleic acid delivery TNNC1, TNNI3, TNNT2 PDE5A 2130/4885ABCB1 690/4885ABCG2 2255/4885
US-20050176800-A1 Pyrrolidine derivatives as prostaglandin modulators PGF, PTGIS, PTGIR PDE5A 9/4885ABCB1 1676/4885ABCG2 4081/4885
US-20080114051-A1 PYRROLIDINE DERIVATIVES AS PROSTAGLANDIN MODULATORS PGF, PTGIS, PDE5A PDE5A 3/4885ABCB1 2220/4885ABCG2 4249/4885

“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.