SCHEMBL3751874

SCHEMBL3751874

O=C1N(c2ccc(OCC(F)(F)F)nc2)CCC12CCN(S(=O)(=O)c1ccccc1)CC2

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 11/20 0.51
EGLN1 Q9GZT9 2/20 0.42
ALDH1A1 P00352 5/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP3A4 P08684 4/20 0.39
USP2 O75604 3/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
HSD17B10 Q99714 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HSD11B1 P28845 1/20 0.39

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
SCHEMBL747031 0.89 LIPE (0.64) LIPEEGLN1
SCHEMBL3745828 0.88 LIPE (0.48) LIPEEGLN1ALDH1A1MEN1MAPK1
SCHEMBL746188 0.87 LIPE (0.60) LIPEEGLN1L3MBTL1
SCHEMBL745741 0.84 LIPE (0.60) LIPEEGLN1ALDH1A1MEN1MAPK1
SCHEMBL10207 0.82 LIPE (0.57) LIPEEGLN1L3MBTL1
SCHEMBL11361 0.81 LIPE (0.55) LIPEEGLN1L3MBTL1
SCHEMBL11573 0.81 LIPE (0.58) LIPEEGLN1L3MBTL1
SCHEMBL11561 0.81 LIPE (0.58) LIPE
SCHEMBL1589681 0.81 LIPE (0.58) LIPEEGLN1L3MBTL1
SCHEMBL3744686 0.80 LIPE (0.51) LIPEEGLN1SMN1; SMN2

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 10/4885EGLN1 2307/4885ALDH1A1 691/4885

“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.