SCHEMBL1814712

SCHEMBL1814712

Cc1nc2c3c(ccn2c1C)C(O)CC(c1ccccc1)O3

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 13/20 0.45
ATP4A P20648 3/20 0.44
ATP4B P51164 3/20 0.44
TDP1 Q9NUW8 1/20 0.35
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL1816326 0.79 ATP4A (0.40) ATP4AATP4BCYP3A4CYP2C9
SCHEMBL4591400 0.79 ATP4A (0.40) ATP4AATP4BCYP3A4CYP2C9
SCHEMBL5032825 0.75 CYP19A1 (0.50) CYP19A1ATP4AATP4B
SCHEMBL1814676 0.74 CYP3A4 (0.46) ATP4AATP4BCYP3A4CYP2C9
SCHEMBL4590723 0.73 ATP4A (0.35) ATP4AATP4BTDP1CYP3A4CYP2C9
SCHEMBL4590855 0.73 ATP4A (0.33) ATP4AATP4B
SCHEMBL4591093 0.73 ATP4A (0.33) ATP4AATP4B
SCHEMBL4590828 0.73 ATP4A (0.35) ATP4AATP4BTDP1CYP3A4CYP2C9
SCHEMBL5044812 0.71 KIF11 (0.38) ATP4AATP4BCYP3A4CYP2C9
SCHEMBL4591100 0.71 ATP4A (0.34) ATP4AATP4BCYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0984969-B1 FUSED DIHYDROPYRANS NYCOMED GMBH (DE) 2008-07-09 EP claimed
EP-0984969-A1 FUSED DIHYDROPYRANS Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2000-03-15 EP claimed
WO-1998054188-A1 FUSED DIHYDROPYRANS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1998-12-03 WO claimed
US-7951398-B2 Pharmaceutical preparation comprising an active dispersed on a matrix NYCOMED GMBH (DE) 2011-05-31 US disclosed
US-20090048287-A1 Compositions useful for treating gastrointestinal motility disorders EDUSA PHARMACEUTICALS, INC. 2009-02-19 US disclosed
EP-0984969-B1 FUSED DIHYDROPYRANS NYCOMED GMBH (DE) 2008-07-09 EP disclosed
US-20070122474-A1 Pharmaceutical preparation comprising an active dispersed on a matrix ALTANA PHARMA AG 2007-05-31 US disclosed
US-7175854-B2 Pharmaceutical preparation comprising an active dispersed on a matrix ALTANA PHARMA AG (DE) 2007-02-13 US disclosed
US-20060189648-A1 Compositions useful for increasing lower esophageal sphincter pressure EDUSA PHARMACEUTICALS, INC. 2006-08-24 US disclosed
EP-1663313-A2 COMPOSITIONS USEFUL FOR TREATING GASTROINTESTINAL MOTILITY DISORDERS Dynogen Pharmaceuticals Inc. (US) 2006-06-07 EP disclosed
US-20050059704-A1 Compositions useful for treating gastrointestinal motility disorders DYNOGEN PHARMACEUTICALS, INC. (US) 2005-03-17 US disclosed
WO-2005021040-A2 COMPOSITIONS USEFUL FOR TREATING GASTROINTESTINAL MOTILITY DISORDERS DYNOGEN PHARMACEUTICALS, INC. (US) 2005-03-10 WO disclosed
US-20040058896-A1 Pharmaceutical preparation comprising an active dispersed on a matrix ASTRAZENECA AB (SE) 2004-03-25 US disclosed
US-6160119-A Fused dihydropyrans BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-12-12 US 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-20090048287-A1 Compositions useful for treating gastrointestinal motility disorders HRH2, MLNR, HTR3A CYP19A1 4732/4885ATP4A 1096/4885ATP4B 1186/4885
US-20050059704-A1 Compositions useful for treating gastrointestinal motility disorders HRH2, MLNR, HTR3A CYP19A1 4732/4885ATP4A 1096/4885ATP4B 1186/4885
US-20060189648-A1 Compositions useful for increasing lower esophageal sphincter pressure HTR3A, HTR3D, HTR3B CYP19A1 4722/4885ATP4A 1289/4885ATP4B 2151/4885

“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.