SCHEMBL348217

SCHEMBL348217

O=C1CN(S(=O)(=O)c2ccccc2Cl)CCC12CCN(c1ccc(OC(F)(F)F)cc1)C2=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 18/20 1.00
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL745848 0.87 LIPE (1.00) LIPE
SCHEMBL349602 0.80 LIPE (1.00) LIPE
SCHEMBL349649 0.80 LIPE (1.00) LIPE
SCHEMBL336298 0.78 LIPE (0.79) LIPE
SCHEMBL744430 0.77 LIPE (0.68) LIPEMEN1KMT2A
SCHEMBL3749714 0.77 LIPE (0.81) LIPE
SCHEMBL3745588 0.76 LIPE (0.79) LIPEMEN1KMT2A
SCHEMBL743640 0.76 LIPE (0.79) LIPEMEN1KMT2A
SCHEMBL745795 0.75 LIPE (0.77) LIPE
SCHEMBL746682 0.75 LIPE (0.74) LIPE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470843-B2 Azacyclic compounds HOFFMANN-LA ROCHE INC. (US) 2013-06-25 US disclosed
US-8470843-B2 Azacyclic compounds HOFFMANN-LA ROCHE INC. (US) 2013-06-25 US disclosed
US-8470843-B2 Azacyclic compounds HOFFMANN-LA ROCHE INC. (US) 2013-06-25 US disclosed
EP-2593454-A1 NEW AZACYCLIC COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
US-20120015970-A1 NEW AZACYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 US disclosed
US-20120015970-A1 NEW AZACYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 US disclosed
US-20120015970-A1 NEW AZACYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 US disclosed
WO-2012007367-A1 NEW AZACYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 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-20120015970-A1 NEW AZACYCLIC COMPOUNDS AZI2, CDKN1A, TOP2B LIPE 4875/4885MEN1 359/4885KMT2A 273/4885

“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.