SCHEMBL3748818

SCHEMBL3748818

O=C1N(c2ccc(C3CC3)cc2)CCC12CCN(S(=O)(=O)c1ccc(F)cc1C(F)(F)F)CC2

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 2/20 0.46
EPHX2 P34913 1/20 0.46
HRH3 Q9Y5N1 10/20 0.45
EGLN1 Q9GZT9 2/20 0.39
EBP Q15125 1/20 0.39
HSD11B1 P28845 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL744165 0.87 LIPE (0.56) LIPEHRH3EGLN1EBPMEN1
SCHEMBL3739631 0.84 LIPE (0.48) LIPEEPHX2EGLN1EBPHSD11B1
SCHEMBL744086 0.84 LIPE (0.49) LIPEEPHX2EGLN1EBPHSD11B1
SCHEMBL747055 0.84 LIPE (0.66) LIPEHSD11B1
SCHEMBL3749389 0.83 LIPE (0.52) LIPEEPHX2EGLN1HSD11B1
SCHEMBL744421 0.82 LIPE (0.53) LIPEHRH3EBPMEN1KMT2A
SCHEMBL3749578 0.78 LIPE (0.63) LIPEHRH3
SCHEMBL3740078 0.76 LIPE (0.66) LIPEHRH3EGLN1
SCHEMBL743967 0.72 PKM (0.49) LIPEHRH3EGLN1MEN1KMT2A
SCHEMBL3741527 0.71 LIPE (0.58) LIPEEGLN1MEN1KMT2A

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 9 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
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 10/4885EPHX2 2736/4885HRH3 3708/4885

“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.