SCHEMBL1812969

SCHEMBL1812969

Cc1nc2c3c(ccn2c1C=O)C(=O)[C@H](O)[C@@H](c1ccccc1)N3

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL5634257 1.00 CYP3A4 (0.35) CYP3A4CYP2C9
SCHEMBL1814134 0.87 CYP3A4 (0.43) CYP3A4CYP2C9
SCHEMBL5747928 0.87 CYP3A4 (0.43) CYP3A4CYP2C9
SCHEMBL1217601 0.87 CYP3A4 (0.43) CYP3A4CYP2C9
SCHEMBL1218640 0.87 CYP3A4 (0.43) CYP3A4CYP2C9
SCHEMBL5838814 0.77 CYP3A4 (0.34) CYP3A4CYP2C9
SCHEMBL5840352 0.76 CYP3A4 (0.32) CYP3A4CYP2C9
SCHEMBL4880229 0.74 CYP3A4 (0.37) CYP3A4CYP2C9
SCHEMBL5838692 0.73 CYP3A4 (0.33) CYP3A4CYP2C9
SCHEMBL5839023 0.73 CYP3A4 (0.35) CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0971922-B1 TETRAHYDROPYRIDO COMPOUNDS ALTANA PHARMA AG (DE) 2004-04-28 EP claimed
US-6197783-B1 THERAPY FOR GASTROINTESTINAL DISORDERS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2001-03-06 US claimed
EP-0971922-A1 TETRAHYDROPYRIDO COMPOUNDS Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2000-01-19 EP claimed
WO-1998042707-A1 TETRAHYDROPYRIDO COMPOUNDS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1998-10-01 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
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
EP-0971922-B1 TETRAHYDROPYRIDO COMPOUNDS ALTANA PHARMA AG (DE) 2004-04-28 EP disclosed
US-20040058896-A1 Pharmaceutical preparation comprising an active dispersed on a matrix ASTRAZENECA AB (SE) 2004-03-25 US disclosed
US-6197783-B1 THERAPY FOR GASTROINTESTINAL DISORDERS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2001-03-06 US disclosed
EP-0971922-A1 TETRAHYDROPYRIDO COMPOUNDS Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2000-01-19 EP disclosed
WO-1998042707-A1 TETRAHYDROPYRIDO COMPOUNDS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1998-10-01 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-20090048287-A1 Compositions useful for treating gastrointestinal motility disorders HRH2, MLNR, HTR3A CYP3A4 1306/4885CYP2C9 1083/4885
US-20050059704-A1 Compositions useful for treating gastrointestinal motility disorders HRH2, MLNR, HTR3A CYP3A4 1306/4885CYP2C9 1083/4885
US-20060189648-A1 Compositions useful for increasing lower esophageal sphincter pressure HTR3A, HTR3D, HTR3B CYP3A4 2764/4885CYP2C9 2333/4885

“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.