SCHEMBL744638

SCHEMBL744638

CCn1cc2cc(N3CCC4(CCN(S(=O)(=O)c5ccccc5Cl)CC4)C3=O)ccc2n1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 6/20 0.52
EGLN1 Q9GZT9 2/20 0.38
MALT1 Q9UDY8 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
KDM2B Q8NHM5 1/20 0.35
CHRM4 P08173 3/20 0.35
GBA1 P04062 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34

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
SCHEMBL3747902 0.88 LIPE (0.55) LIPEEGLN1MALT1GAAMAPK1
SCHEMBL745067 0.84 CCR1 (0.39) LIPEGAAMAPK1HTTNPSR1
SCHEMBL3739130 0.80 LIPE (0.52) LIPEEGLN1MALT1GAAMAPK1
SCHEMBL3745565 0.78 LIPE (0.54) LIPEEGLN1MALT1MAPK1HTT
SCHEMBL745622 0.77 LIPE (0.69) LIPEEGLN1GAAMAPK1HTT
SCHEMBL3753933 0.77 LIPE (0.55) LIPEEGLN1MALT1GAAMAPK1
SCHEMBL744566 0.76 LIPE (0.64) LIPEEGLN1GAAMAPK1HTT
SCHEMBL746972 0.76 LIPE (0.67) LIPEEGLN1GAAMAPK1HTT
SCHEMBL3744359 0.76 LIPE (0.58) LIPEEGLN1MALT1CCR1CHRM4
SCHEMBL3742918 0.73 LIPE (0.63) 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 10/4885EGLN1 2307/4885MALT1 771/4885

“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.