SCHEMBL3752266

SCHEMBL3752266

O=C1N(CCCCc2ccccc2)CCC12CCN(S(=O)(=O)c1ccccc1Cl)CC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.47
LIPE Q05469 2/20 0.46
OPRM1 P35372 2/20 0.45
OPRL1 P41146 1/20 0.45
CCR3 P51677 3/20 0.41
TRPV4 Q9HBA0 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
CCR1 P32246 1/20 0.39
OPRD1 P41143 1/20 0.39
FAAH O00519 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 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
SCHEMBL3746782 0.97 EPHX2 (0.48) EPHX2LIPEOPRM1OPRL1CCR3
SCHEMBL3748798 0.92 LIPE (0.48) EPHX2LIPEOPRM1OPRL1CCR3
SCHEMBL3756575 0.85 LIPE (0.47) EPHX2LIPECCR3TRPV4MEN1
SCHEMBL745902 0.83 CCR3 (0.53) EPHX2LIPECCR3MEN1KMT2A
SCHEMBL3748211 0.83 LIPE (0.48) EPHX2LIPEOPRM1OPRL1CCR3
SCHEMBL3752462 0.83 LIPE (0.48) LIPEGAAMAPK1HTTNPSR1
SCHEMBL745679 0.83 CCR1 (0.45) LIPECCR3TRPV4GAAMAPK1
SCHEMBL3754889 0.82 LIPE (0.46) EPHX2LIPECCR3GAAMAPK1
SCHEMBL3744572 0.81 LIPE (0.45) LIPECCR3GAAMAPK1HTT
SCHEMBL3745589 0.81 LIPE (0.50) LIPECCR3MEN1KMT2AGAA

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 EPHX2 2736/4885LIPE 10/4885OPRM1 3108/4885

“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.