SCHEMBL745641

SCHEMBL745641

CCc1ccc(N2CCC3(CCN(S(=O)(=O)c4ccccc4N4CCCC4=O)CC3)C2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 6/20 0.48
EGLN1 Q9GZT9 1/20 0.44
TP53 P04637 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
AKR1C3 P42330 3/20 0.41
USP2 O75604 1/20 0.40
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.39
STAT3 P40763 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD11B1 P28845 1/20 0.39
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 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
SCHEMBL745622 0.82 LIPE (0.69) LIPEEGLN1HSD11B1
SCHEMBL743380 0.82 LIPE (0.54) LIPEEGLN1TSHRHSD11B1
SCHEMBL743652 0.81 LIPE (0.53) LIPEEGLN1HSD11B1
SCHEMBL3744657 0.79 LIPE (0.58) LIPEEGLN1TSHRLMNAHSD11B1
SCHEMBL3739743 0.77 LIPE (0.66) LIPEEGLN1
SCHEMBL746769 0.74 LIPE (0.50) LIPEEGLN1TSHR
SCHEMBL745047 0.74 MEN1 (0.50) LIPEEGLN1TSHRLMNARAB9A
SCHEMBL3745559 0.73 LIPE (0.59) LIPEEGLN1L3MBTL1
SCHEMBL745186 0.73 LIPE (0.50) LIPEEGLN1L3MBTL1
SCHEMBL744984 0.72 KMT2A (0.49) LIPEEGLN1HSD11B1KMT2AALDH1A1

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
EP-2430023-A1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-03-21 EP 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 10/4885EGLN1 2307/4885TP53 3196/4885

“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.