SCHEMBL743532

SCHEMBL743532

CCOCc1ccc(N2CCCC3(CCN(S(=O)(=O)c4ccccc4Cl)CC3)C2=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 8/20 0.57
CCR1 P32246 1/20 0.39
CHRM4 P08173 3/20 0.39
EGLN1 Q9GZT9 2/20 0.38
CTSG P08311 1/20 0.36
CMA1 P23946 1/20 0.36
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL3742918 0.95 LIPE (0.63) LIPECCR1EGLN1CTSGCMA1
SCHEMBL745747 0.85 LIPE (0.65) LIPECCR1EGLN1CTSGCMA1
SCHEMBL745622 0.84 LIPE (0.69) LIPECCR1CHRM4EGLN1CTSG
SCHEMBL745034 0.83 LIPE (0.60) LIPECCR1EGLN1
SCHEMBL744218 0.81 CYP3A4 (0.52) CCR1CHRM4MAPK1
SCHEMBL746095 0.80 LIPE (0.59) LIPECCR1EGLN1GAA
SCHEMBL13075630 0.79 LIPE (0.66) LIPECCR1CHRM4EGLN1CTSG
SCHEMBL747576 0.79 LIPE (0.66) LIPECCR1EGLN1CTSGCMA1
SCHEMBL744232 0.79 LIPE (0.68) LIPECCR1CHRM4CTSGCMA1
SCHEMBL744566 0.79 LIPE (0.64) LIPECCR1CHRM4EGLN1CTSG

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 10/4885CCR1 968/4885CHRM4 1829/4885

“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.