SCHEMBL745047

SCHEMBL745047

CCc1ccc(N2CCC3(CCN(S(=O)(=O)c4cccs4)CC3)C2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
PKM P14618 3/20 0.49
ALDH1A1 P00352 3/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
EGLN1 Q9GZT9 1/20 0.48
MAPT P10636 4/20 0.47
GAA P10253 1/20 0.47
HTR7 P34969 1/20 0.46
LIPE Q05469 1/20 0.45
MAPK1 P28482 2/20 0.45
RAB9A P51151 2/20 0.45
JAK2 O60674 1/20 0.45
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
NPC1 O15118 1/20 0.44
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL750610 0.85 HTR7 (0.45) MEN1KMT2APKMALDH1A1MAPT
SCHEMBL3744018 0.83 MAPK1 (0.51) MEN1KMT2APKMALDH1A1LMNA
SCHEMBL743967 0.83 PKM (0.49) MEN1KMT2APKMALDH1A1EGLN1
SCHEMBL744984 0.83 KMT2A (0.49) MEN1KMT2APKMALDH1A1EGLN1
SCHEMBL3743625 0.82 LIPE (0.68) PKMSMN1; SMN2MAPTLIPEMAPK1
SCHEMBL743380 0.80 LIPE (0.54) EGLN1LIPETSHR
SCHEMBL745622 0.80 LIPE (0.69) EGLN1GAALIPEMAPK1
SCHEMBL743652 0.79 LIPE (0.53) EGLN1LIPE
SCHEMBL3744657 0.77 LIPE (0.58) MEN1KMT2AALDH1A1LMNAEGLN1
SCHEMBL746679 0.75 EGLN1 (0.48) KMT2AALDH1A1LMNAEGLN1MAPT

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
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
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 MEN1 2464/4885KMT2A 830/4885PKM 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.