SCHEMBL4092958

SCHEMBL4092958

NC(=O)c1ccc2c(c1)ncn2N1CCN(Cc2cc(F)cc(F)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
SSTR5 P35346 1/20 0.39
KCNH2 Q12809 1/20 0.39
MAP4K4 O95819 6/20 0.37
GPR183 P32249 1/20 0.37
PRKAA2 P54646 2/20 0.36
NAMPT P43490 1/20 0.36

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
SCHEMBL5732760 0.87 FGFR1 (0.52) FGFR1OPRM1OPRK1KCNH2PRKAA2
SCHEMBL4091949 0.86 CHEK2 (0.43) FGFR1OPRM1OPRK1GPR183NAMPT
SCHEMBL5732957 0.85 NAMPT (0.54) FGFR1OPRM1OPRK1NAMPT
SCHEMBL5463332 0.84 ITGB3 (0.47) FGFR1OPRM1OPRK1KCNH2NAMPT
SCHEMBL4088461 0.84 OPRM1 (0.44) FGFR1OPRM1OPRK1
SCHEMBL4093319 0.83 KDM4E (0.48)
SCHEMBL4081413 0.82 OPRM1 (0.48) FGFR1OPRM1OPRK1NAMPT
SCHEMBL4093387 0.82 OPRM1 (0.48) FGFR1OPRM1OPRK1
SCHEMBL4088434 0.82 FAAH (0.48) FGFR1
SCHEMBL4085613 0.82 CHEK2 (0.48) OPRM1OPRK1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1080078-B1 HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS SCIOS INC (US) 2006-02-01 EP claimed
US-6589954-B1 Indoles, benzimidazoles and benztriazoles which are substituted at the 5 or 6 position with a substituent comprising an aromatic moiety linked through a piperazine ring to said indole, benzimidazole or benztriazole are useful SCIOS, INC. 2003-07-08 US claimed
US-6340685-B1 ANTIINFLAMMATORY AGENTS SCIOS, INC. 2002-01-22 US claimed
EP-2116245-A2 EGFR kinase inhibitor combinations for treating respiratory and gastrointestinal disorders Boehringer Ingelheim International GmbH (DE) 2009-11-11 EP disclosed
US-20090017036-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS JUNG BIRGIT 2009-01-15 US disclosed
US-20070123516-A1 Method of treating mucus hypersecretion BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2007-05-31 US disclosed
EP-1784224-A2 EGFR KINASE INHIBITOR COMBINATIONS FOR TREATING RESPIRATORY AND GASTROINTESTINAL DISORDERS Boehringer Ingelheim International GmbH (DE) 2007-05-16 EP disclosed
EP-1707205-A2 PHARMACEUTICAL COMPOSITIONS OF ANTICHOLINERGICS AND P38 KINASE INHIBITORS IN THE TREATMENT OF RESPIRATORY DISEASES Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2006-10-04 EP disclosed
WO-2006015775-A2 EGFR KINASE INHIBITOR COMBINATIONS FOR TREATING RESPIRATORY AND GASTROINTESTINAL DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-02-16 WO disclosed
US-20060035893-A1 Pharmaceutical compositions for treatment of respiratory and gastrointestinal disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-02-16 US disclosed
EP-1080078-B1 HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS SCIOS INC (US) 2006-02-01 EP disclosed
EP-1534282-A2 PHARMACEUTICAL COMPOSITIONS OF ANTICHOLINERGICS AND P38 KINASE INHIBITORS IN THE TREATMENT OF RESPIRATORY DISEASES Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-06-01 EP disclosed
EP-1496900-A2 NEW PHARMACEUTICAL COMPOSITIONS BASED ON ANTICHOLINERGICS AND P38 KINASE INHIBITORS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-01-19 EP disclosed
EP-1494645-A2 METHOD OF TREATING MUCUS HYPERSECRETION Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-01-12 EP disclosed
US-20040044020-A1 Pharmaceutical compositions based on novel anticholinergics and p38 kinase inhibitors BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-03-04 US disclosed
WO-2004004725-A2 PHARMACEUTICAL COMPOSITIONS OF ANTICHOLINERGICS AND P38 KINASE INHIBITORS IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-01-15 WO disclosed
US-20030225089-A1 Pharmaceutical compositions based on anticholinergics and p38 kinase inhibitors BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-12-04 US disclosed
US-20030220336-A1 Method of treating mucus hypersecretion BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-11-27 US disclosed
WO-2003084539-A2 NEW PHARMACEUTICAL COMPOSITIONS BASED ON ANTICHOLINERGICS AND P38 KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-10-16 WO disclosed
WO-2003084503-A2 P38 KINASE INHIBITORS FOR TREATING MUCUS HYPERSECRETION_ BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-10-16 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 (6 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-20030225089-A1 Pharmaceutical compositions based on anticholinergics and p38 kinase inhibitors CHRM3, CHRM2, CHRNB1 FGFR1 3781/4885OPRM1 371/4885OPRK1 102/4885
US-20040044020-A1 Pharmaceutical compositions based on novel anticholinergics and p38 kinase inhibitors CHRM3, CHRNB1, CHRM2 FGFR1 3933/4885OPRM1 234/4885OPRK1 86/4885
US-20090017036-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS BDKRB2, EDNRB, GRK5 FGFR1 936/4885OPRM1 1291/4885OPRK1 249/4885
US-20070123516-A1 Method of treating mucus hypersecretion MUC1, CFTR, MAPKAPK5 FGFR1 1733/4885OPRM1 1515/4885OPRK1 485/4885
US-20060035893-A1 Pharmaceutical compositions for treatment of respiratory and gastrointestinal disorders BDKRB2, EDNRB, GRK5 FGFR1 936/4885OPRM1 1291/4885OPRK1 249/4885
US-20030220336-A1 Method of treating mucus hypersecretion MUC1, CFTR, MAPKAPK5 FGFR1 1733/4885OPRM1 1515/4885OPRK1 485/4885

“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.