SCHEMBL3744572

SCHEMBL3744572

O=C1N(CCc2ccc(Cl)c(Cl)c2)CCC12CCN(S(=O)(=O)c1ccccc1Cl)CC2

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 2/20 0.45
CCR1 P32246 2/20 0.44
CCR3 P51677 1/20 0.43
SIGMAR1 Q99720 5/20 0.42
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ATM Q13315 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
ALDH1A1 P00352 1/20 0.39
FPR2 P25090 1/20 0.38
PROKR1 Q8TCW9 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
SCHEMBL3756575 0.89 LIPE (0.47) LIPECCR1CCR3ALDH1A1
SCHEMBL3748798 0.89 LIPE (0.48) LIPECCR1CCR3GAAMAPK1
SCHEMBL745679 0.88 CCR1 (0.45) LIPECCR1CCR3GAAMAPK1
SCHEMBL3748211 0.87 LIPE (0.48) LIPECCR1CCR3GAAMAPK1
SCHEMBL745902 0.87 CCR3 (0.53) LIPECCR1CCR3GAAMAPK1
SCHEMBL3741489 0.86 CCR3 (0.50) LIPECCR1CCR3GAAMAPK1
SCHEMBL3754889 0.85 LIPE (0.46) LIPECCR1CCR3SIGMAR1GAA
SCHEMBL744116 0.85 LIPE (0.46) LIPECCR3SIGMAR1GAAATM
SCHEMBL3745589 0.84 LIPE (0.50) LIPECCR3GAAMAPK1ALDH1A1
SCHEMBL3752462 0.84 LIPE (0.48) LIPECCR1GAAMAPK1HTT

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 10/4885CCR1 968/4885CCR3 2405/4885

“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.