SCHEMBL3748211

SCHEMBL3748211

CCc1ccc(CCN2CCC3(CCN(S(=O)(=O)c4ccccc4Cl)CC3)C2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 4/20 0.48
CCR3 P51677 1/20 0.43
CCR1 P32246 2/20 0.41
HSD11B1 P28845 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRL1 P41146 1/20 0.40
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
EPHX2 P34913 3/20 0.38
CHRM4 P08173 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 0.91 LIPE (0.47) LIPECCR3CCR1EPHX2
SCHEMBL3748798 0.91 LIPE (0.48) LIPECCR3CCR1OPRM1OPRL1
SCHEMBL3754889 0.89 LIPE (0.46) LIPECCR3CCR1HSD11B1GAA
SCHEMBL745902 0.89 CCR3 (0.53) LIPECCR3CCR1GAAMAPK1
SCHEMBL3745589 0.89 LIPE (0.50) LIPECCR3GAAMAPK1
SCHEMBL3744572 0.87 LIPE (0.45) LIPECCR3CCR1GAAMAPK1
SCHEMBL3746782 0.84 EPHX2 (0.48) LIPECCR3CCR1OPRM1OPRL1
SCHEMBL3752462 0.84 LIPE (0.48) LIPECCR1GAAMAPK1HTT
SCHEMBL745679 0.84 CCR1 (0.45) LIPECCR3CCR1GAAMAPK1
SCHEMBL3752266 0.83 EPHX2 (0.47) LIPECCR3CCR1OPRM1OPRL1

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 6 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 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 10/4885CCR3 2405/4885CCR1 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.