SCHEMBL747770

SCHEMBL747770

O=C1N(c2ccc(OC3CCOC3)cc2)CCC12CCN(S(=O)(=O)c1ccccc1Cl)CC2

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 10/20 0.63
EBP Q15125 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
ACLY P53396 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
EGLN1 Q9GZT9 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CCR1 P32246 1/20 0.36
MAPT P10636 1/20 0.36
CTSG P08311 1/20 0.35
CMA1 P23946 1/20 0.35

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
SCHEMBL3746995 0.88 LIPE (0.68) LIPESMN1; SMN2ACLYEGLN1CCR1
SCHEMBL744082 0.78 LIPE (0.72) LIPEEGLN1GAAMAPK1HTT
SCHEMBL3740078 0.78 LIPE (0.66) LIPEHRH3EGLN1CCR1CTSG
SCHEMBL745848 0.77 LIPE (1.00) LIPE
SCHEMBL3744668 0.77 LIPE (0.65) LIPEEGLN1CCR1
SCHEMBL747137 0.76 LIPE (0.75) LIPEEGLN1
SCHEMBL743924 0.75 LIPE (0.62) LIPEGAAMAPK1HTTNPSR1
SCHEMBL748033 0.75 LIPE (0.65) LIPEEGLN1GAAMAPK1HTT
SCHEMBL748151 0.75 LIPE (0.76) LIPE
SCHEMBL750774 0.75 LIPE (0.67) LIPEEGLN1GAAMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430023-B1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS HOFFMANN LA ROCHE (CH) 2013-12-11 EP claimed
EP-2430023-A1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-03-21 EP claimed
WO-2010130665-A1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 WO claimed
US-20100292212-A1 NEW AZACYCLIC DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 US claimed
EP-2430023-B1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS HOFFMANN LA ROCHE (CH) 2013-12-11 EP disclosed
US-8329904-B2 Azacyclic derivatives HOFFMANN-LA ROCHE INC. (US) 2012-12-11 US disclosed
US-8329904-B2 Azacyclic derivatives HOFFMANN-LA ROCHE INC. (US) 2012-12-11 US disclosed
US-8329904-B2 Azacyclic derivatives HOFFMANN-LA ROCHE INC. (US) 2012-12-11 US disclosed
WO-2010130665-A1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 WO disclosed
US-20100292212-A1 NEW AZACYCLIC DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 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 (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-20100292212-A1 NEW AZACYCLIC DERIVATIVES GPR119, LDLR, LPL LIPE 10/4885EBP 12/4885SMN1; SMN2 4670/4885

“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.