SCHEMBL745679

SCHEMBL745679

O=C1N(CCc2cccc(Cl)c2)CCC12CCN(S(=O)(=O)c1ccccc1Cl)CC2

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.45
LIPE Q05469 1/20 0.45
PKM P14618 1/20 0.44
TRPV4 Q9HBA0 1/20 0.43
ALDH1A1 P00352 2/20 0.42
CCR3 P51677 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HCRTR2 O43614 3/20 0.41
HCRTR1 O43613 2/20 0.41
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ATM Q13315 1/20 0.39
DAO P14920 1/20 0.39

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
SCHEMBL3748798 0.90 LIPE (0.48) CCR1LIPETRPV4ALDH1A1CCR3
SCHEMBL3741489 0.90 CCR3 (0.50) CCR1LIPEPKMALDH1A1CCR3
SCHEMBL3744015 0.89 ALDH1A1 (0.52) CCR1LIPEPKMTRPV4ALDH1A1
SCHEMBL3744572 0.88 LIPE (0.45) CCR1LIPEALDH1A1CCR3GAA
SCHEMBL3756575 0.88 LIPE (0.47) CCR1LIPETRPV4ALDH1A1CCR3
SCHEMBL744116 0.88 LIPE (0.46) LIPEPKMALDH1A1CCR3GAA
SCHEMBL3756582 0.87 LIPE (0.48) LIPEPKMALDH1A1CCR3HCRTR2
SCHEMBL745902 0.84 CCR3 (0.53) CCR1LIPEPKMALDH1A1CCR3
SCHEMBL3748211 0.84 LIPE (0.48) CCR1LIPECCR3GAAMAPK1
SCHEMBL3746782 0.84 EPHX2 (0.48) CCR1LIPETRPV4ALDH1A1CCR3

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 CCR1 968/4885LIPE 10/4885PKM 4056/4885

“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.