SCHEMBL3744359

SCHEMBL3744359

CCc1ccc(N2CCC3(CCN(S(=O)(=O)c4ccccc4Cl)CC3)C2=O)cn1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 6/20 0.58
EGLN1 Q9GZT9 6/20 0.44
CCR1 P32246 1/20 0.39
CHRM4 P08173 3/20 0.39
MALT1 Q9UDY8 1/20 0.38

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
SCHEMBL745622 0.85 LIPE (0.69) LIPEEGLN1CCR1CHRM4
SCHEMBL744566 0.82 LIPE (0.64) LIPEEGLN1CCR1CHRM4
SCHEMBL746622 0.81 CCR1 (0.44) LIPECCR1CHRM4
SCHEMBL747031 0.79 LIPE (0.64) LIPEEGLN1
SCHEMBL746972 0.79 LIPE (0.67) LIPEEGLN1CCR1CHRM4
SCHEMBL3742918 0.78 LIPE (0.63) LIPEEGLN1CCR1
SCHEMBL3742959 0.78 LIPE (0.66) LIPEEGLN1CCR1CHRM4
SCHEMBL13075630 0.78 LIPE (0.66) LIPEEGLN1CCR1CHRM4
SCHEMBL747576 0.78 LIPE (0.66) LIPEEGLN1CCR1
SCHEMBL745747 0.78 LIPE (0.65) LIPEEGLN1CCR1MALT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2307/4885CCR1 968/4885

“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.