SCHEMBL5744048

SCHEMBL5744048

CC(=O)[C@@H]1C(=O)c2ccn3c(C)c(C)nc3c2N(C(C)=O)[C@H]1c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.37
ATP4A P20648 2/20 0.33
ATP4B P51164 2/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL6672735 1.00 ELANE (0.37) ELANEATP4AATP4BCYP3A4CYP2C9
SCHEMBL5041462 0.88 ELANE (0.38) ELANEATP4AATP4BCYP3A4CYP2C9
SCHEMBL5744537 0.81 ELANE (0.39) ELANE
SCHEMBL5037175 0.77 ELANE (0.35) ELANEATP4AATP4BCYP3A4CYP2C9
SCHEMBL7107773 0.77 ELANE (0.35) ELANEATP4AATP4BCYP3A4CYP2C9
SCHEMBL6529295 0.77 ELANE (0.35) ELANEATP4AATP4BCYP3A4CYP2C9
SCHEMBL5746631 0.77 ELANE (0.34) ELANEATP4AATP4BCYP3A4CYP2C9
SCHEMBL5040327 0.73 KDM4E (0.34) ELANEATP4AATP4BALDH1A1KDM4E
SCHEMBL5040385 0.73 KDM4E (0.34) ELANEATP4AATP4BALDH1A1KDM4E
SCHEMBL5042223 0.73 ATP4A (0.35) ELANEATP4AATP4BCYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1414821-B1 TRICYCLIC EPOXIDES ALTANA PHARMA AG (DE) 2006-08-16 EP disclosed
US-6927292-B2 Tricyclic epoxides ALTANA PHARMA AG (DE) 2005-08-09 US disclosed
US-20040235882-A1 Amino-substituted imidazopyridines for the treatment of gastrointestial diseases ALTANA PHARMA AG (DE) 2004-11-25 US disclosed
US-20040235883-A1 Alkyl-substituted imidazopyridines for the treatment of gastrointestinal disorders ALTANA PHARMA AG (DE) 2004-11-25 US disclosed
US-20040176597-A1 Tricyclic epoxides ALTANA PHARMA AG (DE) 2004-09-09 US disclosed
EP-1414821-A1 TRICYCLIC EPOXIDES ALTANA Pharma AG (DE) 2004-05-06 EP disclosed
WO-2003014119-A1 TRICYCLIC EPOXIDES ALTANA PHARMA AG (DE) 2003-02-20 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-20040235883-A1 Alkyl-substituted imidazopyridines for the treatment of gastrointestinal disorders SLC10A2, ALPI, SI ELANE 1466/4885ATP4A 235/4885ATP4B 701/4885
US-20040235882-A1 Amino-substituted imidazopyridines for the treatment of gastrointestial diseases SLC10A2, ALPI, FABP6 ELANE 754/4885ATP4A 314/4885ATP4B 626/4885
US-20040176597-A1 Tricyclic epoxides VKORC1, CYP2E1, CYP1A2 ELANE 327/4885ATP4A 1792/4885ATP4B 2262/4885

“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.