SCHEMBL744984

SCHEMBL744984

CCc1ccc(N2CCC3(CCN(S(=O)(=O)c4ccc(C)s4)CC3)C2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
EGLN1 Q9GZT9 4/20 0.48
LIPE Q05469 4/20 0.43
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.38
METAP2 P50579 2/20 0.38
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
THRB P10828 1/20 0.35
HSD11B1 P28845 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL3743935 0.85 KMT2A (0.45) KMT2AEGLN1LIPEALDH1A1MEN1
SCHEMBL747546 0.83 LIPE (0.64) KMT2ALIPE
SCHEMBL3752275 0.83 KMT2A (0.47) KMT2AEGLN1LIPEALDH1A1MEN1
SCHEMBL745047 0.83 MEN1 (0.50) KMT2AEGLN1LIPEALDH1A1MEN1
SCHEMBL745622 0.78 LIPE (0.69) EGLN1LIPEHTTTHRBHSD11B1
SCHEMBL743380 0.78 LIPE (0.54) EGLN1LIPEHSD11B1
SCHEMBL743652 0.77 LIPE (0.53) EGLN1LIPETHRBHSD11B1
SCHEMBL746679 0.75 EGLN1 (0.48) KMT2AEGLN1LIPEALDH1A1MAPT
SCHEMBL3745559 0.75 LIPE (0.59) EGLN1LIPE
SCHEMBL745186 0.75 LIPE (0.50) EGLN1LIPE

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 11 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
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 KMT2A 830/4885EGLN1 2307/4885LIPE 10/4885

“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.