SCHEMBL3753933

SCHEMBL3753933

Cn1ncc2cc(N3CCC4(CCN(S(=O)(=O)c5ccccc5Cl)CC4)C3=O)ccc21

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 6/20 0.55
CDK8 P49336 4/20 0.41
CCNC P24863 3/20 0.38
CDK19 Q9BWU1 2/20 0.38
EGLN1 Q9GZT9 1/20 0.38
MALT1 Q9UDY8 1/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CCR1 P32246 1/20 0.37
GLRA3 O75311 1/20 0.37
GLRB P48167 1/20 0.37
CHRM4 P08173 2/20 0.37
CYP11B2 P19099 1/20 0.36

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
SCHEMBL3739130 0.88 LIPE (0.52) LIPEEGLN1MALT1GAAMAPK1
SCHEMBL3747902 0.81 LIPE (0.55) LIPEEGLN1MALT1GAAMAPK1
SCHEMBL20414628 0.77 OTUD7B (0.42) CDK8CCNCCDK19CYP11B2
SCHEMBL744638 0.77 LIPE (0.52) LIPEEGLN1MALT1GAAMAPK1
SCHEMBL3745565 0.76 LIPE (0.54) LIPEEGLN1MALT1MAPK1HTT
SCHEMBL746972 0.76 LIPE (0.67) LIPEEGLN1GAAMAPK1HTT
SCHEMBL3744359 0.76 LIPE (0.58) LIPEEGLN1MALT1CCR1CHRM4
SCHEMBL3742959 0.75 LIPE (0.66) LIPEEGLN1GAAMAPK1HTT
SCHEMBL745622 0.75 LIPE (0.69) LIPEEGLN1GAAMAPK1HTT
SCHEMBL3742912 0.75 LIPE (0.68) LIPEEGLN1MALT1GAAMAPK1

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
EP-2430023-B1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS HOFFMANN LA ROCHE (CH) 2013-12-11 EP 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 10/4885CDK8 3566/4885CCNC 1137/4885

“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.