SCHEMBL743653

SCHEMBL743653

N#CCc1ccc(N2CCC3(CCN(S(=O)(=O)c4ccccc4Cl)CC3)C2=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 6/20 0.62
L3MBTL1 Q9Y468 1/20 0.44
EGLN1 Q9GZT9 2/20 0.42
CCR1 P32246 2/20 0.40
CTSG P08311 1/20 0.40
CMA1 P23946 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
CYP3A4 P08684 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL749854 0.89 LIPE (0.54) LIPEEGLN1CCR1CTSGCMA1
SCHEMBL747576 0.86 LIPE (0.66) LIPEEGLN1CCR1CTSGCMA1
SCHEMBL13075630 0.86 LIPE (0.66) LIPEEGLN1CCR1CTSGCMA1
SCHEMBL745622 0.86 LIPE (0.69) LIPEEGLN1CCR1CTSGCMA1
SCHEMBL745747 0.83 LIPE (0.65) LIPEEGLN1CCR1CTSGCMA1
SCHEMBL3742918 0.81 LIPE (0.63) LIPEEGLN1CCR1CTSGCMA1
SCHEMBL744566 0.81 LIPE (0.64) LIPEEGLN1CCR1CTSGCMA1
SCHEMBL750774 0.80 LIPE (0.67) LIPEEGLN1CCR1CTSGCMA1
SCHEMBL746972 0.80 LIPE (0.67) LIPEEGLN1CCR1CTSGCMA1
SCHEMBL745374 0.80 LIPE (0.58) LIPEEGLN1CCR1CTSGCMA1

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 11 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
EP-2430023-A1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-03-21 EP 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 10/4885L3MBTL1 1353/4885EGLN1 2307/4885

“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.