SCHEMBL5745520

SCHEMBL5745520

COCCO[C@@H]1c2ccn3c(C)c(C)nc3c2N(C(C)=O)[C@H](c2ccccc2)[C@H]1O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.31
HCRTR1 O43613 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
GAA P10253 1/20 0.31
LMNA P02545 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
SCHEMBL5037175 0.83 ELANE (0.35) ELANESMN1; SMN2HCRTR1TP53MAPT
SCHEMBL6529295 0.83 ELANE (0.35) ELANESMN1; SMN2HCRTR1TP53MAPT
SCHEMBL7107773 0.83 ELANE (0.35) ELANESMN1; SMN2HCRTR1TP53MAPT
SCHEMBL5840166 0.78 NTRK1 (0.32) ELANE
SCHEMBL5839892 0.78 NTRK1 (0.32) ELANE
SCHEMBL5840220 0.78 ELANE (0.32) ELANE
SCHEMBL4967094 0.77 ELANE (0.32) ELANE
SCHEMBL4967104 0.77 ELANE (0.32) ELANE
SCHEMBL5839762 0.77 ELANE (0.32) ELANE
SCHEMBL6031960 0.77 ATP4A (0.33) ELANE

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
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-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 (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-20040176597-A1 Tricyclic epoxides VKORC1, CYP2E1, CYP1A2 ELANE 327/4885SMN1; SMN2 4216/4885HCRTR1 1318/4885

“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.