SCHEMBL4087786

SCHEMBL4087786

CC(C)NC(=O)c1ccc2[nH]c(N3CCN(Cc4cccc(Cl)c4)CC3)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.47
POLB P06746 1/20 0.46
KDM4E B2RXH2 1/20 0.46
DRD4 P21917 1/20 0.45
TP53 P04637 1/20 0.45
ACKR3 P25106 1/20 0.44
MGLL Q99685 3/20 0.44
PPARG P37231 1/20 0.44
GPR6 P46095 4/20 0.43
AVPR1B P47901 2/20 0.43
CXCR3 P49682 1/20 0.42

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
SCHEMBL4081750 0.93 HDAC6 (0.49) HCRTR2POLBKDM4EDRD4TP53
SCHEMBL4099402 0.91 DRD4 (0.46) HCRTR2DRD4MGLLGPR6
SCHEMBL4087270 0.89 DRD4 (0.45) HCRTR2DRD4TP53MGLLGPR6
SCHEMBL7214652 0.87 CHRM3 (0.51) HCRTR2DRD4MGLLGPR6
SCHEMBL4093393 0.86 HCRTR2 (0.48) HCRTR2DRD4MGLLGPR6
SCHEMBL4092851 0.84 NPY5R (0.51) HCRTR2DRD4MGLL
SCHEMBL4086205 0.82 MAPT (0.49) HCRTR2DRD4TP53MGLLGPR6
SCHEMBL7220342 0.80 EGLN1 (0.55) HCRTR2DRD4MGLLGPR6
SCHEMBL4093396 0.79 CHEK2 (0.56) HCRTR2TP53MGLL
SCHEMBL5383657 0.77 CHRM3 (0.54) HCRTR2

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20050163726-A1 Pharmaceutical compositions based on novel anticholinergics and p38 kinase inhibitors BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-07-28 US 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 (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-20050163726-A1 Pharmaceutical compositions based on novel anticholinergics and p38 kinase inhibitors CHRM3, CHRNB1, CHRM2 HCRTR2 815/4885POLB 3025/4885KDM4E 3745/4885
US-20030225089-A1 Pharmaceutical compositions based on anticholinergics and p38 kinase inhibitors CHRM3, CHRM2, CHRNB1 HCRTR2 1078/4885POLB 2969/4885KDM4E 3817/4885
US-20040044020-A1 Pharmaceutical compositions based on novel anticholinergics and p38 kinase inhibitors CHRM3, CHRNB1, CHRM2 HCRTR2 815/4885POLB 3025/4885KDM4E 3745/4885
US-20090017036-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS BDKRB2, EDNRB, GRK5 HCRTR2 1531/4885POLB 2168/4885KDM4E 2818/4885
US-20070123516-A1 Method of treating mucus hypersecretion MUC1, CFTR, MAPKAPK5 HCRTR2 465/4885POLB 2471/4885KDM4E 4714/4885
US-20060035893-A1 Pharmaceutical compositions for treatment of respiratory and gastrointestinal disorders BDKRB2, EDNRB, GRK5 HCRTR2 1531/4885POLB 2168/4885KDM4E 2818/4885
US-20030220336-A1 Method of treating mucus hypersecretion MUC1, CFTR, MAPKAPK5 HCRTR2 465/4885POLB 2471/4885KDM4E 4714/4885

“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.