SCHEMBL5044812

SCHEMBL5044812

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

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 8/20 0.38
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
RIPK1 Q13546 3/20 0.34
MAOB P27338 1/20 0.34
ATP4A P20648 2/20 0.33
ATP4B P51164 2/20 0.33
TERT O14746 1/20 0.33
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
SCHEMBL7107773 0.80 ELANE (0.35) KIF11KDM4EATP4AATP4BCYP3A4
SCHEMBL5037175 0.80 ELANE (0.35) KIF11KDM4EATP4AATP4BCYP3A4
SCHEMBL6529295 0.80 ELANE (0.35) KIF11KDM4EATP4AATP4BCYP3A4
SCHEMBL5746631 0.77 ELANE (0.34) KDM4EATP4AATP4BCYP3A4CYP2C9
SCHEMBL5041462 0.73 ELANE (0.38) KIF11KDM4EATP4AATP4BCYP3A4
SCHEMBL4972810 0.73 ELANE (0.32)
SCHEMBL4972816 0.73 ELANE (0.32)
SCHEMBL5745520 0.73 ELANE (0.36) GAA
SCHEMBL5042223 0.73 ATP4A (0.35) KIF11KDM4EATP4AATP4BCYP3A4
SCHEMBL1814712 0.71 CYP19A1 (0.45) 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 5 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
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-20050148618-A1 Tricyclic n-acyl compounds ALTANA PHARMA AG (DE) 2005-07-07 US disclosed
US-20040176597-A1 Tricyclic epoxides ALTANA PHARMA AG (DE) 2004-09-09 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 (2 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 KIF11 3587/4885KDM4E 2624/4885GAA 229/4885
US-20040176597-A1 Tricyclic epoxides VKORC1, CYP2E1, CYP1A2 KIF11 4498/4885KDM4E 1288/4885GAA 798/4885

“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.