SCHEMBL1342098

SCHEMBL1342098

CC1C(=O)N(CCC=O)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 2/20 0.35
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
GPR119 Q8TDV5 2/20 0.33
TP53 P04637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PLA2G10 O15496 1/20 0.32
PLA2G5 P39877 1/20 0.32
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31

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
SCHEMBL1343297 1.00 SETD7 (0.35) SETD7DDB1CRBNGPR119TP53
SCHEMBL1344593 1.00 SETD7 (0.35) SETD7DDB1CRBNGPR119TP53
SCHEMBL1341565 0.89 FAAH (0.35) SETD7TP53ALDH1A1PLA2G10PLA2G5
SCHEMBL1341886 0.89 FAAH (0.35) SETD7TP53ALDH1A1PLA2G10PLA2G5
SCHEMBL1343824 0.89 FAAH (0.35) SETD7TP53ALDH1A1PLA2G10PLA2G5
SCHEMBL1341622 0.84 FAAH (0.37) SETD7
SCHEMBL1568438 0.83 SETD7 (0.35) SETD7TP53ALDH1A1PLA2G10PLA2G5
SCHEMBL1568443 0.83 SETD7 (0.35) SETD7TP53ALDH1A1PLA2G10PLA2G5
SCHEMBL3174066 0.81 ALDH1A1 (0.34) ALDH1A1
SCHEMBL3174054 0.81 ALDH1A1 (0.34) ALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307387-B1 NOVEL HETEROCYCLYL COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISEASE HOFFMANN LA ROCHE (CH) 2013-11-20 EP disclosed
US-8071586-B2 Heterocyclyl compounds HOFFMANN-LA ROCHE INC. (US) 2011-12-06 US disclosed
US-8063042-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2011-11-22 US disclosed
EP-2220055-A2 NOVEL HETEROCYCLYL COMPOUNDS AND THEIR USE AS CHEMOKINE ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2010-08-25 EP disclosed
US-20100016282-A1 NOVEL HETEROCYCLYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-01-21 US disclosed
US-20090023713-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE, INC. 2009-01-22 US disclosed
WO-2009010429-A2 NOVEL HETEROCYCLYL COMPOUNDS AND THEIR USE AS CHEMOKINE ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-01-22 WO 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 (2 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-20090023713-A1 HETEROCYCLIC COMPOUNDS CCR5, CCR3, CCR2 SETD7 3026/4885DDB1 2935/4885CRBN 1054/4885
US-20100016282-A1 NOVEL HETEROCYCLYL COMPOUNDS CCR2, CCR3, CCR5 SETD7 3594/4885DDB1 3112/4885CRBN 1254/4885

“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.