SCHEMBL3753670

SCHEMBL3753670

O=C1N(c2ccc(C(F)(F)F)cc2)CCC12CCN(S(=O)(=O)c1ccccc1Cl)CC2

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 12/20 0.75
EBP Q15125 1/20 0.48
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HDAC11 Q96DB2 1/20 0.43
HSD11B1 P28845 1/20 0.42
EGLN1 Q9GZT9 1/20 0.42
CTSG P08311 1/20 0.42
CMA1 P23946 1/20 0.42

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
SCHEMBL744232 0.95 LIPE (0.68) LIPEEBPMEN1KMT2AALDH1A1
SCHEMBL744141 0.89 LIPE (0.70) LIPE
SCHEMBL748053 0.88 LIPE (0.68) LIPEHSD11B1
SCHEMBL745848 0.86 LIPE (1.00) LIPE
SCHEMBL3744522 0.86 LIPE (0.59) LIPEMEN1KMT2AALDH1A1TSHR
SCHEMBL3742912 0.86 LIPE (0.68) LIPEMEN1KMT2AALDH1A1TSHR
SCHEMBL748151 0.85 LIPE (0.76) LIPE
SCHEMBL745162 0.84 LIPE (0.68) LIPEEGLN1CTSGCMA1
SCHEMBL746972 0.83 LIPE (0.67) LIPEEGLN1CTSGCMA1
SCHEMBL750774 0.83 LIPE (0.67) LIPEEGLN1CTSGCMA1

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 LIPE 10/4885EBP 12/4885MEN1 2464/4885

“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.