SCHEMBL1816294

SCHEMBL1816294

Cc1nc2c3c(ccn2c1C)C(O)CC(c1ccccc1C(F)(F)F)N3

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
RBP4 P02753 12/20 0.34
PPARG P37231 1/20 0.32
TNF P01375 1/20 0.32
GBA1 P04062 1/20 0.32
PIM1 P11309 1/20 0.32
GAA P10253 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL1818094 0.84 CYP3A4 (0.36) CYP3A4CYP2C9GAAL3MBTL1
SCHEMBL1814676 0.83 CYP3A4 (0.46) CYP3A4CYP2C9HTT
SCHEMBL6061289 0.80 CYP3A4 (0.33) CYP3A4CYP2C9GBA1GAAL3MBTL1
SCHEMBL1814419 0.79 CYP3A4 (0.35) CYP3A4CYP2C9
SCHEMBL5634126 0.79 CYP3A4 (0.40) CYP3A4CYP2C9RBP4PIM1TDP1
SCHEMBL4885373 0.75 CYP3A4 (0.36) CYP3A4CYP2C9
SCHEMBL4887936 0.75 CYP3A4 (0.34) CYP3A4CYP2C9
SCHEMBL1812017 0.67 CYP3A4 (0.35) CYP3A4CYP2C9
SCHEMBL14685313 0.66 ATP4A (0.48) CYP3A4CYP2C9GAA
SCHEMBL1219275 0.66 CYP3A4 (0.38) CYP3A4CYP2C9GBA1

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 15 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
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-7196196-B2 Substituted imidazo[1, 2-a]-5,6,7,8-tetrahydropyridine-8-ones, method for their production and the use thereof for producing imidazo[1,2-a]pyridines BASF AKTIENGESELLSCHAFT (DE) 2007-03-27 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-20050020620-A1 Substituted imidazo[1, 2-a]-5,6,7,8-tetrahydropyridine-8-ones, method for their production and the use thereof for producing imidazo[1,2-a]pyridines BASF AKTIENGESELLSCHAFT (DE) 2005-01-27 US 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

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-20090048287-A1 Compositions useful for treating gastrointestinal motility disorders HRH2, MLNR, HTR3A CYP3A4 1306/4885CYP2C9 1083/4885RBP4 3603/4885
US-20050059704-A1 Compositions useful for treating gastrointestinal motility disorders HRH2, MLNR, HTR3A CYP3A4 1306/4885CYP2C9 1083/4885RBP4 3603/4885
US-20060189648-A1 Compositions useful for increasing lower esophageal sphincter pressure HTR3A, HTR3D, HTR3B CYP3A4 2764/4885CYP2C9 2333/4885RBP4 1379/4885
US-20050020620-A1 Substituted imidazo[1, 2-a]-5,6,7,8-tetrahydropyridine-8-ones, method for their production and the use thereof for producing imidazo[1,2-a]pyridines BTN3A1, DHPS, NISCH CYP3A4 48/4885CYP2C9 249/4885RBP4 2895/4885

“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.