SCHEMBL5041462

SCHEMBL5041462

CC(=O)N1c2c(ccn3c(C)c(C)nc23)C(=O)[C@H](O)[C@H]1c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.38
ATP4A P20648 2/20 0.34
ATP4B P51164 2/20 0.34
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KIF11 P52732 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL5744048 0.88 ELANE (0.37) ELANEATP4AATP4BCYP3A4CYP2C9
SCHEMBL6672735 0.88 ELANE (0.37) ELANEATP4AATP4BCYP3A4CYP2C9
SCHEMBL5037175 0.83 ELANE (0.35) ELANEATP4AATP4BCYP3A4CYP2C9
SCHEMBL6529295 0.83 ELANE (0.35) ELANEATP4AATP4BCYP3A4CYP2C9
SCHEMBL7107773 0.83 ELANE (0.35) ELANEATP4AATP4BCYP3A4CYP2C9
SCHEMBL5744537 0.82 ELANE (0.39) ELANE
SCHEMBL5746631 0.77 ELANE (0.34) ELANEATP4AATP4BCYP3A4CYP2C9
SCHEMBL4972816 0.76 ELANE (0.32) ELANE
SCHEMBL4972810 0.76 ELANE (0.32) ELANE
SCHEMBL1815255 0.74 RET (0.36) ATP4AATP4BCYP3A4CYP2C9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7314935-B2 Tricyclic n-acyl compounds ALTANA PHARMA AG (DE) 2008-01-01 US disclosed
US-20050148618-A1 Tricyclic n-acyl compounds ALTANA PHARMA AG (DE) 2005-07-07 US disclosed
EP-1476445-A1 TRICYCLIC N-ACYL COMPOUNDS ALTANA Pharma AG (DE) 2004-11-17 EP disclosed
WO-2003068774-A1 TRICYCLIC N-ACYL COMPOUNDS ALTANA PHARMA AG (DE) 2003-08-21 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 (1 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-20050148618-A1 Tricyclic n-acyl compounds NAT1, AADAC, CYP1B1 ELANE 671/4885ATP4A 2068/4885ATP4B 1914/4885

“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.